SCHEMBL3967033

SCHEMBL3967033

CCC(CCCC(Cc1ccc(O)cc1)C(C)(C)C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.47
ESR2 Q92731 9/20 0.47
SLC6A2 P23975 4/20 0.43
TAAR1 Q96RJ0 3/20 0.43
ADORA3 P0DMS8 3/20 0.42
SLC6A3 Q01959 3/20 0.42
ADRA2A P08913 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A4 P31645 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
PTGS1 P23219 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL6897660 0.90 ESR1 (0.50) ESR1ESR2SLC6A2TAAR1ADORA3
SCHEMBL27715462 0.90 ESR1 (0.47) ESR1ESR2SLC6A2TAAR1ADORA3
SCHEMBL11856965 0.89 ESR1 (0.44) ESR1ESR2SLC6A2TAAR1ADORA3
SCHEMBL872141 0.88 ESR1 (0.53) ESR1ESR2SLC6A2TAAR1ADORA3
SCHEMBL105327 0.87 ESR1 (0.53) ESR1ESR2SLC6A2TAAR1ADORA3
SCHEMBL8675930 0.87 ESR1 (0.53) ESR1ESR2SLC6A2TAAR1ADORA3
SCHEMBL8674114 0.87 ESR1 (0.53) ESR1ESR2SLC6A2TAAR1ADORA3
SCHEMBL106676 0.87 ESR1 (0.56) ESR1ESR2SLC6A2TAAR1ADORA3
SCHEMBL105324 0.87 TAAR1 (0.44) ESR1ESR2SLC6A2TAAR1ADORA3
SCHEMBL1240638 0.87 ESR1 (0.56) ESR1ESR2SLC6A2TAAR1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450404-B2 Production methods of polyester and polyurethane MITSUBISHI CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
CN-104781318-B Mold release film 三井化学东赛璐株式会社 2018-10-16 CN disclosed
CN-107602824-A The manufacture method of polyester and polyurethanes 基因组股份公司 2018-01-19 CN disclosed
CN-107519158-A Oral care method and external member 3M创新有限公司 2017-12-29 CN disclosed
CN-104540873-B Method for producing polybutylene terephthalate 三菱化学株式会社 2017-09-01 CN disclosed
CN-103118712-B Antimicrobial disposable absorbent article 3M INNOVATIVE PROPERTIES CO. (US) 2016-05-25 CN disclosed
CN-105308011-A 1, 4-butanediol, method for producing polyester using the 1, 4-butanediol, and method for storing the 1, 4-butanediol MITSUBISHI CHEM CORP 2016-02-03 CN disclosed
CN-103687893-B Process for producing polyester MITSUBISHI CHEMICAL CORP. (JP) 2015-10-07 CN disclosed
EP-2862886-A1 POLYESTER AND POLYURETHANE PRODUCTION METHOD Mitsubishi Chemical Corporation (JP) 2015-04-22 EP disclosed
US-20150087789-A1 PRODUCTION METHODS OF POLYESTER AND POLYURETHANE MITSUBISHI CHEMICAL CORPORATION (JP) 2015-03-26 US disclosed
EP-1921103-A1 POLYBUTYLENE TEREPHTHALATE AND PROCESS FOR PRODUCTION THEREOF Mitsubishi Chemical Corporation (JP) 2008-05-14 EP disclosed
US-20080081886-A1 Process for Producing Polybutylene Terephthalate MITSUBISHI CHEMICAL CORPORATION (JP) 2008-04-03 US disclosed
CN-100378136-C Polybutylene terephthalate and composition thereof MITSUBISHI CHEM CORP (JP) 2008-04-02 CN disclosed
CN-101137357-A Antimicrobial compositions containing esters of hydroxycarboxylic acids 3M INNOVATIVE PROPERTIES CO (US) 2008-03-05 CN disclosed
CN-101001914-A Thermoplastic resin composition and molded article MITSUBISHI ENG PLASTICS CORP (JP) 2007-07-18 CN disclosed
CN-1950426-A Process for producing polybutylene terephthalate MITSUBISHI CHEM CORP (JP) 2007-04-18 CN disclosed
CN-1938361-A Polybutylene terephthalate MITSUBISHI CHEM CORP (JP) 2007-03-28 CN disclosed
EP-1731546-A1 POLYBUTYLENE TEREPHTHALATE Mitsubishi Chemical Corporation (JP) 2006-12-13 EP disclosed
CN-1753929-A Polybutylene terephthalate and composition thereof MITSUBISHI CHEM CORP (JP) 2006-03-29 CN disclosed
CN-1753930-A Polybutylene terephthalate, process for producing the same, composition thereof, and film MITSUBISHI CHEM CORP (JP) 2006-03-29 CN disclosed