SCHEMBL21881695

SCHEMBL21881695

COC1(C(=O)I)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2300431 0.77 FFAR3 (0.38) NPSR1
SCHEMBL12928737 0.77 NPSR1 (0.37) NPSR1ALDH1A1
SCHEMBL28023138 0.77 NPSR1 (0.37) NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL11387822 0.75 FFAR3 (0.36) NPSR1
SCHEMBL11387810 0.75 NPSR1 (0.35) NPSR1
SCHEMBL27518805 0.75 NPSR1 (0.35) NPSR1
SCHEMBL2771351 0.75 LMNA (0.37) NPSR1ALDH1A1
SCHEMBL19233 0.75 CYP2C19 (0.38) NPSR1ALDH1A1
SCHEMBL2775123 0.75 NPSR1 (0.50) NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL8362281 0.73 CYP2C19 (0.37) NPSR1ALDH1A1

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
EP-4130006-A1 ANTI-PSMA ANTIBODY-EXATECAN ANALOGUE CONJUGATE AND MEDICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-02-08 EP disclosed
EP-3981434-A1 ANTI-B7-H4 ANTIBODY-DRUG CONJUGATE AND MEDICINAL USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-04-13 EP disclosed
WO-2022068914-A1 PHARMACEUTICAL COMPOSITION COMPRISING ANTIBODY-DRUG CONJUGATE, AND USE OF PHARMACEUTICAL COMPOSITION 江苏恒瑞医药股份有限公司 2022-04-07 WO disclosed
WO-2021147993-A1 ANTI-TROP-2 ANTIDODY-EXATECAN ANALOG CONJUGATE AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2021-07-29 WO disclosed
EP-3854816-A1 ANTI-B7H3 ANTIBODY-EXATECAN ANALOG CONJUGATE AND MEDICINAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-07-28 EP disclosed
WO-2021121204-A1 ANTI-CEA ANTIBODY-EXATECAN ANALOG CONJUGATE AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2021-06-24 WO disclosed
WO-2021115426-A1 ANTI-CLAUDIN ANTIBODY-DRUG CONJUGATE AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2021-06-17 WO disclosed
WO-2020244657-A1 ANTI-B7-H4 ANTIBODY–DRUG CONJUGATE AND MEDICINAL USE THEREOF 上海翰森生物医药科技有限公司 2020-12-10 WO disclosed
WO-2020063673-A1 ANTI-B7H3 ANTIBODY-EXATECAN ANALOG CONJUGATE AND MEDICINAL USE THEREOF 江苏恒瑞医药股份有限公司 2020-04-02 WO disclosed
WO-2020063676-A1 LIGAND-DRUG CONJUGATE OF EXATECAN ANALOGUE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2020-04-02 WO disclosed