Docetaxel Anhydrous

Docetaxel Anhydrous

SCHEMBL5553029

CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8

The experimentally established mechanism targets of Docetaxel Anhydrous. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A known ✓ P04350 4/20 1.00
TUBB known ✓ P07437 4/20 1.00
TUBA3C known ✓ P0DPH7 4/20 1.00
TUBA1B known ✓ P68363 4/20 1.00
TUBA4A known ✓ P68366 4/20 1.00
TUBB4B known ✓ P68371 4/20 1.00
TUBB3 known ✓ Q13509 4/20 1.00
TUBB2A known ✓ Q13885 4/20 1.00
TUBB8 known ✓ Q3ZCM7 4/20 1.00
TUBA3E known ✓ Q6PEY2 4/20 1.00
TUBA1A known ✓ Q71U36 4/20 1.00
TUBA1C known ✓ Q9BQE3 4/20 1.00
TUBB6 known ✓ Q9BUF5 4/20 1.00
TUBB2B known ✓ Q9BVA1 4/20 1.00
TUBB1 known ✓ Q9H4B7 4/20 1.00
NPC1 O15118 8/20 1.00
ABCB11 O95342 2/20 1.00
NOD2 Q9HC29 2/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Docetaxel Anhydrous SCHEMBL19236131 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL13524298 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL177909 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL22503340 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL25052982 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL12127070 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL25446250 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL21465719 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL23134940 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B
Docetaxel Anhydrous SCHEMBL22667521 1.00 NPC1 (1.00) NPC1TUBB4ATUBBTUBA3CTUBA1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115598252-A Method for rapidly detecting DMAP (dimethyl acetamide) residue in docetaxel intermediate 无锡紫杉药业股份有限公司(CN) 2023-01-13 CN claimed
CN-121318884-A Docetaxel purification method of intermediate 无锡紫杉药业股份有限公司 2026-01-13 CN disclosed
CN-115598253-B Method for detecting DCC and DCU residues in docetaxel bulk drug 无锡紫杉药业股份有限公司 2025-02-21 CN disclosed
CN-117007727-A High performance liquid chromatography method 上海医药工业研究院有限公司 2023-11-07 CN disclosed
CN-115598253-A Method for detecting DCC and DCU residues in docetaxel bulk drug 无锡紫杉药业股份有限公司(CN) 2023-01-13 CN disclosed
CN-115598252-A Method for rapidly detecting DMAP (dimethyl acetamide) residue in docetaxel intermediate 无锡紫杉药业股份有限公司(CN) 2023-01-13 CN disclosed
CN-115598252-A Method for rapidly detecting DMAP (dimethyl acetamide) residue in docetaxel intermediate 无锡紫杉药业股份有限公司(CN) 2023-01-13 CN disclosed
CN-115598252-A Method for rapidly detecting DMAP (dimethyl acetamide) residue in docetaxel intermediate 无锡紫杉药业股份有限公司(CN) 2023-01-13 CN disclosed
CN-115521229-A Preparation method of docetaxel four-membered ring opening product 无锡紫杉药业股份有限公司 2022-12-27 CN disclosed
CN-115197176-A Preparation method of 7-trichloroethoxycarbonyl docetaxel 无锡紫杉药业股份有限公司 2022-10-18 CN disclosed
WO-2012156756-A2 NEW COMPOUNDS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-11-22 WO disclosed
EP-2524918-A1 Imidazopyrazines derivates as kinase inhibitors Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-11-21 EP disclosed
WO-2012052745-A1 COMBINATIONS OF PI3K INHIBITORS WITH A SECOND ANTI -TUMOR AGENT CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-04-26 WO disclosed
US-8106231-B2 Process for the preparation of (2R,3S)-3-phenylisoserine methyl ester acetate salt INDENA S.P.A. (IT) 2012-01-31 US disclosed
WO-2011101644-A1 TRIAZOLO [4, 5 - B] PYRIDIN DERIVATIVES CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-08-25 WO disclosed
WO-2011089400-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2011-07-28 WO disclosed
WO-2011080510-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2011-07-07 WO disclosed
US-20100168460-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT INDENA S.P.A. (IT) 2010-07-01 US disclosed
WO-2008101608-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT INDENA S.P.A. (IT) 2008-08-28 WO disclosed
EP-1961735-A1 Process for the preparation of (2r,3s)-3-phenylisoserine methyl ester acetate salt Indena S.P.A. (IT) 2008-08-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100168460-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT SPTSSB, SRR, MTAP TUBB4A 1266/4885TUBB 428/4885TUBA3C 754/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.