Hexane

Hexane

SCHEMBL25218797

CCCCCC.[Li]CCCCCC

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
THRB P10828 1/20 0.61
DNM1 Q05193 7/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC22A1 O15245 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL117309 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL11695805 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL2341027 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL2178335 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL50789 1.00
SCHEMBL4195383 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL2175777 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5974474 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL10320275 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL134259 1.00

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063220-A Preparation method of silodosin 山西库邦生物医药科技有限公司 2023-05-05 CN claimed
EP-4192839-A1 REMDESIVIR INTERMEDIATES Richter Gedeon Nyrt. (HU) 2023-06-14 EP disclosed
CN-116063220-A Preparation method of silodosin 山西库邦生物医药科技有限公司 2023-05-05 CN disclosed
CN-113620869-B Preparation method of betrixaban 江西同和药业股份有限公司 2023-04-18 CN disclosed
CN-113620869-A Preparation method of betrixaban 江西同和药业股份有限公司 2021-11-09 CN disclosed
CN-107445932-A The preparation technology of Dapagliflozin eutectic thing 上海医药工业研究院 2017-12-08 CN disclosed
CN-106188022-A The preparation method that Yi Gelie is clean 上海医药工业研究院 2016-12-07 CN disclosed
CN-103261161-B The crystallized form of coagulation factor xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2016-04-27 CN disclosed
CN-103261161-A Crystalline forms of a factor Xa inhibitor PORTOLA PHARM INC 2013-08-21 CN disclosed