SCHEMBL28028102

SCHEMBL28028102

CC(Br)Cc1ccc(CC(C)Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 2/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
SLC6A4 P31645 2/20 0.40
MAOA P21397 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL9790105 0.89 IDO1 (0.44) TAAR1CYP2A6
SCHEMBL11451578 0.89 SIGMAR1 (0.43) TAAR1SIGMAR1CYP2A6
SCHEMBL4010409 0.87 SLC6A2 (0.61) TAAR1SLC6A2SLC6A3SLC6A4CYP2A6
SCHEMBL4975171 0.87 TAAR1 (0.61) TAAR1SLC6A2ESR1ESR2
SCHEMBL873579 0.86 SIGMAR1 (0.58) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL931909 0.86 SIGMAR1 (0.58) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL931910 0.86 SIGMAR1 (0.58) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL15624177 0.83 CYP1A2 (0.38) TAAR1SLC6A4SIGMAR1
SCHEMBL8933391 0.83 SLC6A4 (0.64) TAAR1SLC6A4
SCHEMBL19452195 0.83 ALDH1A1 (0.38) TAAR1SLC6A2SLC6A3ESR1ESR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104974293-B Cationic polymerization method 中国石油化工股份有限公司 2018-04-10 CN disclosed
CN-104974290-B Cationic polymerization method 中国石油化工股份有限公司 2017-01-25 CN disclosed
CN-104974292-B Cationic polymerization method 中国石油化工股份有限公司 2017-01-25 CN disclosed
CN-105440231-A Preparation method of block copolymer and block copolymer CHINA PETROLEUM & CHEM CORP 2016-03-30 CN disclosed
CN-104974293-A Cationic polymerization method CHINA PETROLEUM & CHEMICAL 2015-10-14 CN disclosed
CN-104974290-A Cationic polymerization method CHINA PETROLEUM & CHEMICAL 2015-10-14 CN disclosed
CN-104974291-A Cationic polymerization method CHINA PETROLEUM & CHEMICAL 2015-10-14 CN disclosed
CN-104974292-A Cationic polymerization method CHINA PETROLEUM & CHEMICAL 2015-10-14 CN disclosed