SCHEMBL1870613

SCHEMBL1870613

CC(C)(O)C(C)(C)OB(O)C1=CCCC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL238010 0.95
SCHEMBL2519380 0.93
SCHEMBL28904654 0.76
SCHEMBL518682 0.76
SCHEMBL4561308 0.76 TSHR (0.36)
SCHEMBL18686660 0.76
SCHEMBL2522575 0.74 QDPR (0.34)
SCHEMBL1799515 0.74
Hydrochloric Acid SCHEMBL17181764 0.74 BLM (0.35)
SCHEMBL12478773 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368667-A1 USP1 INHIBITOR SHANGHAI QILU PHARMACEUTICAL RES AND DEVELOPMENT CENTRE LTD (CN) 2025-12-04 US disclosed
EP-4582427-A1 USP1 INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2025-07-09 EP disclosed
EP-3634959-B1 QUINOLINE DERIVATIVES FOR TREATING INFECTIONS WITH HELMINTHS ELANCO ANIMAL HEALTH GMBH (DE) 2025-02-26 EP disclosed
CN-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 CN disclosed
CN-111132977-B Quinoline derivatives for the treatment of helminth infections 礼蓝动物保健有限公司 2024-07-23 CN disclosed
US-11254661-B2 Quinoline derivatives for treating infections with helminths BAYER ANIMAL HEALTH GMBH 2022-02-22 US disclosed
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 US disclosed
CN-113999232-A MAT2A inhibitors 南京正大天晴制药有限公司 2022-02-01 CN disclosed
CN-109476659-B Novel tetrahydropyrazolopyridine compounds for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2021-07-09 CN disclosed
US-10954219-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-03-23 US disclosed
EP-2635563-A1 CRYSTALLINE FORMS OF HYDROCHLORIDE SALT OF (4A-R,9A-S) -1- (1H - BENZOIMIDAZOLE- 5 -CARBONYL) -2, 3, 4, 4A, 9, 9A - HEXAHYDRO -1H- INDENO [2, 1 -B]PYRIDINE- 6 -CARBONITRILE AND THEIR USE AS HSD 1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-09-11 EP disclosed
EP-2630128-A1 VIRAL POLYMERASE INHIBITORS Biota Scientific Management Pty Ltd (AU) 2013-08-28 EP disclosed
US-8497281-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2013-07-30 US disclosed
EP-2496559-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE Vitae Pharmaceuticals, Inc. (US) 2012-09-12 EP disclosed
US-20120157488-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120142686-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD 2012-06-07 US disclosed
WO-2012061708-A1 CRYSTALLINE FORMS OF HYDROCHLORIDE SALT OF (4A-R,9A-S) -1- (1H - BENZOIMIDAZOLE- 5 -CARBONYL) -2, 3, 4, 4A, 9, 9A - HEXAHYDRO -1H- INDENO [2, 1 -B] PYRIDINE- 6 -CARBONITRILE AND THEIR USE AS HSD 1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 WO disclosed
WO-2012051659-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-04-26 WO disclosed
US-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE Boehringer Ingelheim International GmbH Vitae Pharmaceuticals 2011-06-09 US disclosed
WO-2011057054-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE VITAE PHARMACEUTICALS, INC. (US) 2011-05-12 WO disclosed