SCHEMBL728783

SCHEMBL728783

O=C1OC[C@H]2CCCC[C@@H]12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL16116751 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL13253702 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL20715180 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL47305 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL8444553 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL13618315 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL6383420 1.00 ALDH1A1 (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL20715354 0.98 MAPT (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL21500482 0.98 MAPT (0.32) ALDH1A1NOS3NOS1NOS2
SCHEMBL20715355 0.98 MAPT (0.32) ALDH1A1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576803-B1 PREPARATION OF (3aS,7aR)-HEXAHYDROISOBENZOFURAN-1(3H)-ONE BY CATALYZED BIOLOGICAL RESOLUTION OF DIMETHYL CYCLOHEXANE-1,2-DICARBOXYLATE BGP PRODUCTS OPERATIONS GMBH (CH) 2019-07-10 EP claimed
US-9080193-B2 Preparation of (3aS,7aR)-hexahydroisobenzofuran-1(3H)-one by catalyzed biological resolution of dimethyl cyclohexane-1,2-dicarboxylate ABBVIE INC. (US) 2015-07-14 US claimed
US-20130273618-A1 PREPARATION OF (3aS,7aR)-HEXAHYDROISOBENZOFURAN-1(3H)-ONE BY CATALYZED BIOLOGICAL RESOLUTION OF DIMETHYL CYCLOHEXANE-1,2-DICARBOXYLATE ABBOTT PRODUCTS OPERATIONS AG (CH) 2013-10-17 US claimed
EP-2576803-A2 PREPARATION OF (3aS,7aR)-HEXAHYDROISOBENZOFURAN-1(3H)-ONE BY CATALYZED BIOLOGICAL RESOLUTION OF DIMETHYL CYCLOHEXANE-1,2-DICARBOXYLATE Abbott Products Operations AG (CH) 2013-04-10 EP claimed
WO-2011149938-A2 PREPARATION OF (3aS,7aR)-HEXAHYDROISOBENZOFURAN-1(3H)-ONE BY CATALYZED BIOLOGICAL RESOLUTION OF DIMETHYL CYCLOHEXANE-1,2-DICARBOXYLATE DR. REDDY'S LABORATORIES LTD. (IN) 2011-12-01 WO claimed
EP-3881048-B1 DEVICE FOR REMOVING VOLATILE ORGANIC COMPOUNDS LETAT FRANCAIS REPRESENTE PAR LE MINI DE LINTERIEUR (FR) 2026-05-06 EP disclosed
EP-3543310-B2 COMPOSITIONS COMPRISING HFC-1234YF AND HFC-32 CHEMOURS CO FC LLC (US) 2024-07-03 EP disclosed
US-20230265330-A1 COMPOSITIONS COMPRISING A FLUOROOLEFIN THE CHEMOURS COMPANY FC, LLC (US) 2023-08-24 US disclosed
US-20230265330-A1 COMPOSITIONS COMPRISING A FLUOROOLEFIN THE CHEMOURS COMPANY FC, LLC (US) 2023-08-24 US disclosed
US-11674067-B2 Compositions comprising a fluoroolefin THE CHEMOURS COMPANY FC, LLC (US) 2023-06-13 US disclosed
US-11674067-B2 Compositions comprising a fluoroolefin THE CHEMOURS COMPANY FC, LLC (US) 2023-06-13 US disclosed
US-20220389297-A1 COMPOSITIONS COMPRISING A FLUOROOLEFIN THE CHEMOURS COMPANY FC, LLC (US) 2022-12-08 US disclosed
US-7198728-B2 1-ethoxy-1,1,2,2,3,3,4,4,4,-nonafluorobutane refrigerant compositions comprising a hydrocarbon and uses thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-04-03 US disclosed
US-7157020-B2 Refrigerant compositions comprising performance enhancing additives E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-01-02 US disclosed
US-6376539-B1 ANTIISCHEMIC AGENTS, CENTRAL NERVOUS SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-23 US disclosed
EP-1047686-A1 SUBSTITUTED BICYCLIC LACTONES Bayer Aktiengesellschaft (DE) 2000-11-02 EP disclosed
WO-1999036418-A1 SUBSTITUTED BICYCLIC LACTONES BAYER AKTIENGESELLSCHAFT (DE) 1999-07-22 WO disclosed
EP-0037254-B1 ACETIC ACID DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND COMPOSITION CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1984-07-25 EP disclosed
US-4356186-A ANTIINFLAMMATORY, ANALGESIC, AND ANTIPYRETIC, AGENT DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1982-10-26 US disclosed
EP-0037254-A1 Acetic acid derivatives, process for the preparation thereof and composition containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1981-10-07 EP disclosed