SCHEMBL769783

SCHEMBL769783

CCCCC1CCCCC1(N)CCCC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
ARG1 P05089 3/20 0.30
ARG2 P78540 2/20 0.30
DPP4 P27487 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
SCHEMBL517192 0.95 TDP1 (0.43) CYP1A2TDP1NOS1NOS2ARG1
SCHEMBL6061618 0.90 EPHX1 (0.34) CYP1A2TDP1
SCHEMBL11334458 0.90 EPHX1 (0.34) CYP1A2TDP1
SCHEMBL516270 0.81 KDM1A (0.33) NOS1NOS2
SCHEMBL7541534 0.81 SIGMAR1 (0.35) ARG1ARG2
SCHEMBL27904453 0.81 CYP1A2 (0.45) CYP1A2TDP1NOS1NOS2ARG1
SCHEMBL6746371 0.78 CYP1A2 (0.33) CYP1A2
SCHEMBL9801609 0.76 CYP1A2 (0.41) CYP1A2TDP1NOS1NOS2ARG1
SCHEMBL3668479 0.76 CYP1A2 (0.32) CYP1A2
Hydrochloric Acid SCHEMBL27986346 0.76 CYP1A2 (0.32) CYP1A2NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768891-B1 FIBRE REINFORCED POLYISOCYANURATE COMPONENT AND METHOD FOR ITS PRODUCTION COVESTRO DEUTSCHLAND AG (DE) 2018-08-08 EP claimed
US-20160288377-A1 METHOD FOR PRODUCING COMPOSITE COMPONENTS COVESTRO DEUTSCHLAND AG (DE) 2016-10-06 US claimed
US-20150125703-A1 FIBER-REINFORCED POLYISOCYANURATE COMPONENT AND A METHOD FOR PRODUCTION THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-07 US claimed
EP-0676429-B1 Composition for urethane-based plastic lens MITSUI CHEMICALS INC (JP) 2000-12-27 EP claimed
US-3937691-A Manufacture of poly (α-olefins) BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-02-10 US claimed
US-20250145823-A1 FOAM-FORMING COMPOSITIONS CONTAINING A METAL CARBOXYLATE CATALYST, RELATED FOAMS AND METHODS FOR THEIR PRODUCTION COVESTRO LLC 2025-05-08 US disclosed
EP-3824012-A1 BULK POLYMERISATION OF POLYOXAZOLIDONE BASF SE (DE) 2021-05-26 EP disclosed
CN-106459363-B Hydrophobic polyol-based composite parts 科思创德国股份有限公司 2020-12-08 CN disclosed
US-10787550-B2 Composite components on the basis of hydrophobic polyols COVESTRO DEUTSCHLAND AG (DE) 2020-09-29 US disclosed
WO-2020016276-A1 BULK POLYMERISATION OF POLYOXAZOLIDONE BASF SE (DE) 2020-01-23 WO disclosed
US-9868831-B2 Composite fibre components and the production thereof COVESTRO DEUTSCHLAND AG (DE) 2018-01-16 US disclosed
US-20170152354-A1 COMPOSITE COMPONENTS ON THE BASIS OF HYDROPHOBIC POLYOLS COVESTRO DEUTSCHLAND AG (DE) 2017-06-01 US disclosed
US-4740531-A REACTION INJECTION MOLDING MATERIALS; LOW VISCOSITY; COMPACT SURFACES BAYER AKTIENGESELLSCHAFT (DE) 1988-04-26 US disclosed
US-4546153-A CURING 1-OXA-3,5-DIAZINE-2,4,6-TRIONE-CONTAINING POLYURETHANES BY A DIAMINE IN THE GASEOUS PHASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-08 US disclosed
EP-0144841-A2 Method for curing polyurethane compounds Takeda Chemical Industries, Ltd. (JP) 1985-06-19 EP disclosed
US-4501873-A USING BASIC CATALYST BAYER AKTIENGESELLSCHAFT (DE) 1985-02-26 US disclosed
US-4473666-A A DIALKYLCYCLOHEXYLAMINE AND AN N-SUBSTITUTED ALKOXYALKYL PIPERAZINE ABBOTT LABORATORIES (US) 1984-09-25 US disclosed
US-4296222-A Manufacture of poly-α-olefins BASF AKTIENGESELLSCHAFT (DE) 1981-10-20 US disclosed
EP-0014985-A1 Trialkylamine preparation by reductive alkylation of dialkylamines with ketones UNIROYAL, INC. (US) 1980-09-03 EP disclosed
US-3937691-A Manufacture of poly (α-olefins) BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-02-10 US disclosed