SCHEMBL43271

SCHEMBL43271

ClCCOc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.67
TAAR1 Q96RJ0 1/20 0.58
ALDH1A1 P00352 1/20 0.58
RECQL P46063 1/20 0.58
DRD4 P21917 3/20 0.52
HTR1B P28222 2/20 0.52
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
HTR1D P28221 1/20 0.52

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
Water SCHEMBL11880867 0.97 KCNA3 (0.64) KCNA3TAAR1ALDH1A1RECQLDRD4
Hydrochloric Acid SCHEMBL28255341 0.97 KCNA3 (0.64) KCNA3TAAR1ALDH1A1RECQLDRD4
Dimethylamine SCHEMBL8740809 0.91 HTR1B (0.61) KCNA3TAAR1ALDH1A1RECQLDRD4
SCHEMBL1544950 0.90 KCNA3 (0.75) KCNA3TAAR1ALDH1A1RECQLDRD4
SCHEMBL28042242 0.89 KCNA3 (0.54) KCNA3TAAR1ALDH1A1RECQLDRD4
SCHEMBL4329339 0.87 KCNA3 (0.80) KCNA3TAAR1ALDH1A1RECQLDRD4
Furan SCHEMBL28489697 0.87 KCNA3 (0.52) KCNA3TAAR1ALDH1A1RECQLDRD4
SCHEMBL1985916 0.86 KCNA3 (0.56) KCNA3TAAR1ALDH1A1RECQLDRD4
SCHEMBL7306229 0.86 LSS (0.56) KCNA3ALDH1A1RECQLHDAC3HDAC4
SCHEMBL5636691 0.86 KCNA3 (0.46) KCNA3TAAR1ALDH1A1RECQLDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292172-B Preparation method of 2-hydroxy-1- [4- (2-hydroxyethoxy) phenyl ] -2-methyl-1-acetone 天津久日新材料股份有限公司 2023-12-29 CN claimed
CN-115161084-A PNF fuel additive for preventing piston ring from being stuck 赵明晖 2022-10-11 CN claimed
CN-114292172-A Preparation method of 2-hydroxy-1- [4- (2-hydroxyethoxy) phenyl ] -2-methyl-1-acetone 天津久日新材料股份有限公司 2022-04-08 CN claimed
CN-106432066-B A kind of bionical molecule and its synthesis and application based on dopamine 华中科技大学 2018-10-30 CN claimed
CN-108715696-A A kind of preparation method and its application method of high cohesive force acrylic CED paint 枣阳市旺前电泳涂料有限公司 2018-10-30 CN claimed
WO-2017080770-A1 SYNTHESIS OF (Z)-ENDOXIFEN HYDROCHLORIDE ROBERT BOSCH GESELLSCHAFT FÜR MEDIZINISCHE FORSCHUNG MBH (DE) 2017-05-18 WO claimed
CN-103420946-B A kind of separation method of epoxychloropropane 中国石油化工股份有限公司 2016-08-03 CN claimed
CN-103420949-B A kind of separation method of epoxychloropropane SINOPEC CORP. (CN) 2016-05-25 CN claimed
CN-103420949-A Separation method for epichlorohydrin CHINA PETROLEUM & CHEMICAL 2013-12-04 CN claimed
CN-103420946-A Separation method for epichlorohydrin CHINA PETROLEUM & CHEMICAL 2013-12-04 CN claimed
CN-1814596-A Muscarinic agonists ARCADIA PHARMACEUTICALS INC (US) 2006-08-09 CN claimed
CN-1439002-A Muscarinic agonists ACADIA PHARM INC (US) 2003-08-27 CN claimed
EP-0403929-B1 A method of preparing phenoxy ethers for use as agrochemical intermediates MAKHTESHIM CHEM WORKS LTD (IL) 1994-08-31 EP claimed
EP-0403952-B1 An environmentally safe method of preparing a certain dialkylamine MAKHTESHIM CHEM WORKS LTD (IL) 1994-08-31 EP claimed
US-5093526-A ENVIRONMENTALLY SAFE METHOD OF PREPARING A CERTAIN DIALKYLAMINE MAKHTESHIM CHEMICAL WORKS LTD. (IL) 1992-03-03 US claimed
US-5091577-A METHOD OF PREPARING FUNGICIDAL INTERMEDIATES MAKHTESHIM CHEMICAL WORKS LTD. (IL) 1992-02-25 US claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
EP-0403952-A2 An environmentally safe method of preparing a certain dialkylamine MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1990-12-27 EP claimed
EP-0403929-A2 A method of preparing phenoxy ethers for use as agrochemical intermediates MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1990-12-27 EP claimed
US-4021484-A THERMAL POLYMERIZATION OF ALICYCLIC CONJUGATED POLYENE AND A NITRILE ARAKAWA RINSAN KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1977-05-03 US claimed