SCHEMBL30750

SCHEMBL30750

C=CCN(CC=C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ADH1A P07327 9/20 0.36
ADH1C P00326 6/20 0.35
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 3/20 0.32
CYP2C9 P11712 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
ADH4 P08319 1/20 0.32
ADH1B P00325 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
Hydrochloric Acid SCHEMBL2957420 0.98 ALDH1A1 (0.40) ALDH1A1ADH1AADH1CSIGMAR1CYP2D6
Ammonia Solution, Strong SCHEMBL17439397 0.98 ALDH1A1 (0.40) ALDH1A1ADH1AADH1CSIGMAR1CYP2D6
Fluoride SCHEMBL9620616 0.98 ALDH1A1 (0.40) ALDH1A1ADH1AADH1CSIGMAR1CYP2D6
SCHEMBL2163192 0.97 ALDH1A1 (0.38) ALDH1A1ADH1AADH1CSIGMAR1ADH4
SCHEMBL10582372 0.91 ALDH1A1 (0.39) ALDH1A1ADH1AADH1CCYP2D6CYP2C9
SCHEMBL2363531 0.87 SIGMAR1 (0.35) SIGMAR1
SCHEMBL10975387 0.87 ALDH1A1 (0.37) ALDH1A1ADH1AADH1CNOS1NOS2
SCHEMBL3467156 0.87 ADH1A (0.44) ALDH1A1ADH1AADH1CSIGMAR1ADH1B
SCHEMBL10716961 0.83 ALDH1A1 (0.42) ALDH1A1ADH1ACYP2D6CYP2C9HSD17B10
SCHEMBL3429552 0.83 ADH1A (0.47) ALDH1A1ADH1AADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035874-B2 Epoxide-based composition EVONIK DEGUSSA GMBH (DE) 2018-07-31 US claimed
EP-3169715-B1 EPOXIDE-BASED COMPOSITION EVONIK DEGUSSA GMBH (DE) 2018-04-25 EP claimed
US-20160017087-A1 Epoxide-Based Composition AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-01-21 US claimed
US-8609909-B2 Process for the purification of hydrofluoroolefins HONEYWELL INTERNATIONAL INC. (US) 2013-12-17 US claimed
US-20100311937-A1 METHOD AND CATALYST FOR THE MANUFACTURE OF A POLYURETHANE JOHNSON MATTHEY PLC (GB) 2010-12-09 US claimed
EP-2215137-A2 METHOD AND CATALYST FOR THE MANUFACTURE OF A POLYURETHANE JOHNSON MATTHEY PLC (GB) 2010-08-11 EP claimed
US-20100193347-A1 PROCESS FOR THE PURIFICATION OF HYDROFLUOROOLEFINS HONEYWELL INTERNATIONAL INC. (US) 2010-08-05 US claimed
WO-2009063245-A2 METHOD AND CATALYST FOR THE MANUFACTURE OF A POLYURETHANE JOHNSON MATTHEY PLC (GB) 2009-05-22 WO claimed
EP-1265888-B1 METHOD OF PRODUCING 6-SUBSTITUTED ( S )-NICOTINE DERIVATIVES AND INTERMEDIATE COMPOUNDS INDEPENDENT PHARMACEUTICA AB (SE) 2004-08-11 EP claimed
US-6747156-B2 Method of producing 6-substituted (s)-nicotine derivatives and intermediate compounds INDEPENDENT PHARMACEUTICA AB (SE) 2004-06-08 US claimed
US-5021167-A Oil in water emulsion NALCO CHEMICAL COMPANY (US) 1991-06-04 US claimed
US-4942179-A ISOTROPIC OR ANISOTROPIC FORMULATION AND FLUOROPHOSPHATE SURFACTANTS ENIRICHERCHE S.P.A. (IT) 1990-07-17 US claimed
US-4931191-A Method for separating solids from water using amine containing polymers NALCO CHEMICAL COMPANY (US) 1990-06-05 US claimed
EP-0154669-A1 Catalyst for urethane foam blown with carboxylic acids ABBOTT LABORATORIES (US) 1985-09-18 EP claimed
US-4473666-A A DIALKYLCYCLOHEXYLAMINE AND AN N-SUBSTITUTED ALKOXYALKYL PIPERAZINE ABBOTT LABORATORIES (US) 1984-09-25 US claimed
US-4219624-A Stabilization of amine catalysts in a composition with halogenated polyols for use in polyurethane foam production OLIN CORPORATION (US) 1980-08-26 US claimed
US-4115300-A DIEPOXIDES THE UPJOHN COMPANY (US) 1978-09-19 US claimed
US-4011180-A NOVEL COCATALYST SYSTEM FOR TRIMERIZING POLYISOCYANATES THE UPJOHN COMPANY (US) 1977-03-08 US claimed
US-3992366-A FOR CROSSLINKING PHOTOGRAPHIC GELATINS CIBA-GEIGY AG (CH) 1976-11-16 US claimed
US-3980579-A FOR PREPARATION OF POLYURETHANE FOAMS; TERTIARY AMINE, SULFUR-CONTAINING ORGANOTIN COMPOUND OLIN CORPORATION (US) 1976-09-14 US claimed