SCHEMBL27346972

SCHEMBL27346972

O=C(CCC(=O)ONC(=O)OCc1ccccc1)ONC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
HTT P42858 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 1/20 0.48
MGLL Q99685 1/20 0.48
CTRB1 P17538 1/20 0.48

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
SCHEMBL28337555 0.95 HTT (0.57) CA12CA1CA2CA9HTT
SCHEMBL7376134 0.93 CA12 (0.56) CA12CA1CA2CA9HTT
SCHEMBL7415486 0.93 CA12 (0.56) CA12CA1CA2CA9HTT
SCHEMBL27501720 0.92 CA12 (0.55) CA12CA1CA2CA9HTT
SCHEMBL7105678 0.92 TDP1 (0.57) CA12CA1CA2CA9HTT
SCHEMBL19692991 0.92 CA12 (0.55) CA12CA1CA2CA9HTT
SCHEMBL27529913 0.91 CA12 (0.54) CA12CA1CA2CA9HTT
SCHEMBL8061583 0.91 CA12 (0.54) CA12CA1CA2CA9HTT
SCHEMBL27592314 0.88 ALDH1A1 (0.66) CA12CA1CA2CA9HTT
SCHEMBL7378816 0.88 CA12 (0.58) CA12CA1CA2CA9HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118215676-A Specific conjugation of antibody drug conjugates 杭州多禧生物科技有限公司 2024-06-18 CN disclosed
CN-117980327-A Specific coupling of antibodies 杭州多禧生物科技有限公司 2024-05-03 CN disclosed
CN-115443134-A Conjugates of cell binding molecules and camptothecin analogs 杭州多禧生物科技有限公司 2022-12-06 CN disclosed
CN-114040779-A Conjugates of cell binding molecules containing branched linkers and cytotoxic agents 杭州多禧生物科技有限公司 2022-02-11 CN disclosed
CN-113423430-A Amanitoxin conjugates containing branched linkers 杭州多禧生物科技有限公司 2021-09-21 CN disclosed
CN-113195487-A 2, 3-diaminosuccinyl conjugate linkers 杭州多禧生物科技有限公司 2021-07-30 CN disclosed
CN-112272669-A Cross-linked pyrrolobenzodiazepine dimer (PBD) derivatives and conjugates thereof 杭州多禧生物科技有限公司 2021-01-26 CN disclosed
CN-110621673-A Double-stranded linked cytotoxic drug conjugates 杭州多禧生物科技有限公司 2019-12-27 CN disclosed
CN-1151701-A Concatemer-polymer complexes, process for their preparation and pharmaceutical agents containing them SCHERING AG (DE) 1997-06-11 CN disclosed
CN-1054980-A Optically active 8-BAY 128039 carboxylic acid derivative, their preparation method and their intermediate KYORIN SEIYAKU KK (JP) 1991-10-02 CN disclosed