SCHEMBL8600029

SCHEMBL8600029

CCCCOCCCC.CCCCOCCCC

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.71
CYP3A4 P08684 2/20 0.57
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
THRB P10828 2/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.43
CES2 O00748 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL15167 1.00
SCHEMBL439119 1.00 TSHR (0.71) TSHRCYP3A4ADRB2ADRB1ADRB3
SCHEMBL28748446 1.00 TSHR (0.71) TSHRCYP3A4ADRB2ADRB1ADRB3
SCHEMBL5462834 0.96 TSHR (0.67) TSHRCYP3A4ADRB2ADRB1ADRB3
SCHEMBL1133315 0.96 TSHR (0.67) TSHRCYP3A4ADRB2ADRB1ADRB3
SCHEMBL2550234 0.96 TSHR (0.67) TSHRCYP3A4ADRB2ADRB1ADRB3
SCHEMBL4324369 0.96 TSHR (0.67) TSHRCYP3A4ADRB2ADRB1ADRB3
Phosphine SCHEMBL21596999 0.96 TSHR (0.67) TSHRCYP3A4ADRB2ADRB1ADRB3
SCHEMBL5454955 0.96 TSHR (0.67) TSHRCYP3A4ADRB2ADRB1ADRB3
SCHEMBL6469616 0.96 TSHR (0.67) TSHRCYP3A4ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555693-A Process for preparing a polymer composition and composition suitable for use in the process 美利肯公司 2022-05-27 CN disclosed
CN-105754099-B Composition and polymer 旭化成株式会社 2018-09-18 CN disclosed
EP-3307394-A1 FRAGRANCE FIXATIVES AND COMPOSITIONS COMPRISING THEREOF The Procter and Gamble Company (US) 2018-04-18 EP disclosed
CN-105712888-B A kind of preparation method of long-chain nylon salt 中国石油化工股份有限公司 2018-02-09 CN disclosed
CN-105712887-B A kind of production method of long-chain nylon salt 中国石油化工股份有限公司 2017-12-19 CN disclosed
CN-106673994-A Refining method for long-chain organic acid 中国石油化工股份有限公司 2017-05-17 CN disclosed
CN-106478410-A A kind of preparation method of organic acid 衡阳屹顺化工有限公司 2017-03-08 CN disclosed
WO-2016205301-A1 FRAGRANCE FIXATIVES AND COMPOSITIONS COMPRISING THEREOF THE PROCTER & GAMBLE COMPANY (US) 2016-12-22 WO disclosed
CN-103459374-B Amino-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SAI NUOFEI (FR) 2015-11-25 CN disclosed
WO-2014040271-A1 COMPOSITION CONTAINING A LOW VISCOSITY ETHYLENE/ALPHA-OLEFIN COPOLYMER OR A LOW VISCOSITY FUNCTIONALIZED ETHYLENE/ALPHA-OLEFIN COPOLYMER DOW GLOBAL TECHNOLOGIES LLC (US) 2014-03-20 WO disclosed
CN-103459374-A Amino-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI SA 2013-12-18 CN disclosed
CN-1571765-B Esters of aromatic alkoxylated alcohols and fatty carboxylic acids CRODA INC 2012-09-26 CN disclosed
EP-0824911-A2 Non-tacky and quick-drying aqueous-based antiperspirant compositions Bristol-Myers Squibb Company (US) 1998-02-25 EP disclosed
CN-1035507-C Production method for chloro-normal butane CHINA NATIONAL PETROCHEMICAL C (CN) 1997-07-30 CN disclosed
US-5376169-A Nonaqueous solvent, pigment, resin and at least one additive from alginates and borneols MINOLTA CAMERA KABUSHIKI KAISHA (JP) 1994-12-27 US disclosed
CN-1069018-A A kind of method of producing n-propylcarbinyl chloride CHIAN NATIONAL PETROCHEMICAL C (CN) 1993-02-17 CN disclosed
EP-0509301-A1 Process for preparing indolenines BASF Aktiengesellschaft (DE) 1992-10-21 EP disclosed
US-4966732-A CHEMICAL INTERMEDIATES; TREATMENT OF LIVER DISORDERS DEGUSSA AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed
US-4800044-A COENZYME FOR OXIDATIVE DECARBOXYLATION OF PYRUVIC ACID DEGUSSA AG (DE) 1989-01-24 US disclosed
US-4705867-A Process for the production of 1,2-dithiolan-3-pentanoic acid (thioctic acid) and intermediate compounds therefor DEGUSSA AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed