SCHEMBL95389

SCHEMBL95389

CCCCCCN(C=O)CCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 3/20 0.52
ADH1A P07327 3/20 0.52
ADH4 P08319 3/20 0.52
DNM1 Q05193 4/20 0.48
TSHR P16473 3/20 0.46
ADH1B P00325 2/20 0.42
ADH7 P40394 2/20 0.42
EPHX1 P07099 1/20 0.42
THRB P10828 1/20 0.42
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
GBA1 P04062 1/20 0.35

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
SCHEMBL3954905 1.00 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL7774990 1.00 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL276871 1.00 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL5479572 1.00 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL277587 1.00 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL276848 1.00 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL3962903 1.00 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL55195 1.00 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL5175186 1.00 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL102600 1.00 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR

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 1105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884010-B Process for preparing unsaturated carboxylic acid salts 巴斯夫欧洲公司 2022-11-08 CN claimed
CN-112010273-B Carbon nitride material with terminal group carbonylation and preparation method thereof 中国科学院大连化学物理研究所 2022-09-20 CN claimed
CN-114929668-A (meth) acrylate compound having isocyanate group and method for producing same 昭和电工株式会社 2022-08-19 CN claimed
WO-2021141002-A1 (METH)ACRYLIC ACID ESTER COMPOUND HAVING ISOCYANATE GROUP, AND METHOD FOR PRODUCING SAME 昭和電工株式会社 2021-07-15 WO claimed
CN-112010273-A Carbon nitride material with terminal group carbonylation and preparation method thereof 中国科学院大连化学物理研究所 2020-12-01 CN claimed
EP-3442939-B1 PROCESS FOR PREPARING AN UNSATURATED CARBOXYLIC ACID SALT BASF SE (DE) 2020-08-26 EP claimed
US-9073956-B1 Dihydro-1H-phosphole 1-oxide derivatives and preparation method thereof KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2015-07-07 US claimed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP claimed
CN-102584808-A Methods for preparing and applying fluorescent material containing thienyl benzothiazole unit UNIV NANJING POSTS & TELECOMM 2012-07-18 CN claimed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US claimed
EP-0515063-B1 Process for producing amide by liquid phase rearrangement of oxime SUMITOMO CHEMICAL CO (JP) 1995-10-25 EP claimed
US-5268261-A Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1993-12-07 US claimed
US-5254684-A In presence of phosphorus pentoxide and N,N-dialkyl amide, N-alkyl cyclic amide or dialkyl sulfoxide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-10-19 US claimed
EP-0515063-A1 Process for producing amide by liquid phase rearrangement of oxime SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-11-25 EP claimed
EP-0230224-B1 PROCESS FOR THE PREPARATION OF ALCOXYCARBONYL ISOCYANATES BAYER AG (DE) 1991-07-17 EP claimed
US-4910212-A Containing 1,2,4-triazole or imidazole ring IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-20 US claimed
US-4777283-A Process for the preparation of alkoxycarbonyl isocyanates BAYER AKTIENGESELLSCHAFT (DE) 1988-10-11 US claimed
EP-0281283-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-07 EP claimed
EP-0230224-A2 Process for the preparation of alcoxycarbonyl isocyanates BAYER AG (DE) 1987-07-29 EP claimed
US-4020059-A Process for preparing tertiary amines NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JA) 1977-04-26 US claimed