SCHEMBL7938667

SCHEMBL7938667

CC(Br)(CBr)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 1/20 0.41
KCNN4 O15554 4/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 3/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL2239057 0.79 TAAR1 (0.46) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL1336696 0.79 TAAR1 (0.58) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL10477456 0.79 CYP2C19 (0.52) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL6280946 0.77 MAPK1 (0.52) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL2870418 0.77 CYP2C19 (0.45) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL10778628 0.75 TAAR1 (0.54) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL2297497 0.75 KIF11 (0.41) MAPK1CYP2C19ALDH1A1CYP3A4MAPT
SCHEMBL8528106 0.75 ALDH1A1 (0.46) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL28138629 0.75 CYP2C19 (0.46) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL653871 0.75 KCNN4 (0.43) TAAR1MAPK1CYP2C19ALDH1A1KCNN4

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
US-3957915-A ADDING 1,2-DIBROMO-2-PHENYLPROPANE OR METHYL 2,3-DIBROMO-3-PHENYLPROPIONATE STANDARD OIL COMPANY (US) 1976-05-18 US claimed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-110862292-B Preparation method of 1-aryl-1, 2-dibromoethane 中国科学院兰州化学物理研究所 2021-04-06 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
CN-110862292-A Preparation method of 1-aryl-1, 2-dibromoethane 中国科学院兰州化学物理研究所 2020-03-06 CN disclosed
EP-0856558-B1 Liquid-crystalline resin composition and precision moldings of the composition TORAY INDUSTRIES (JP) 2001-12-19 EP disclosed
US-6153121-A Liquid-crystalline resin composition and precision moldings of the composition TORAY INDUSTRIES, INC. (JP) 2000-11-28 US disclosed
EP-0856558-A1 Liquid-crystalline resin composition and precision moldings of the composition TORAY INDUSTRIES, INC. (JP) 1998-08-05 EP disclosed
EP-0032062-B2 HIGH-MOLECULAR-WEIGHT NOVOLAK SUBSTITUTED PHENOLIC RESINS AND THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-10-16 EP disclosed
US-4981768-A Photosensitive recording material having an N-aryl carbazole p-type charge transport compound AGFA-GEVAERT, N.V. (BE) 1991-01-01 US disclosed
US-4943502-A TWO LAYER SYSTEM OF CHARGE GENERATING AND CHARGE TRANSPORTING COMPOUNDS AGFA-GEVAERT, N.V. (BE) 1990-07-24 US disclosed
EP-0347960-A1 Photosensitive recording material suited for use in electrophotography AGFA-GEVAERT N.V. (BE) 1989-12-27 EP disclosed
EP-0347967-A1 Photosensitive recording material suited for use in electrophotography AGFA-GEVAERT N.V. (BE) 1989-12-27 EP disclosed
EP-0032062-B1 HIGH-MOLECULAR-WEIGHT NOVOLAK SUBSTITUTED PHENOLIC RESINS AND THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-04-03 EP disclosed
US-4345054-A High-molecular-weight novolak types substituted phenolic resins and process for preparation thereof MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-08-17 US disclosed
EP-0032062-A2 High-molecular-weight novolak substituted phenolic resins and their preparation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-07-15 EP disclosed
US-3957915-A ADDING 1,2-DIBROMO-2-PHENYLPROPANE OR METHYL 2,3-DIBROMO-3-PHENYLPROPIONATE STANDARD OIL COMPANY (US) 1976-05-18 US disclosed
US-3957915-A ADDING 1,2-DIBROMO-2-PHENYLPROPANE OR METHYL 2,3-DIBROMO-3-PHENYLPROPIONATE STANDARD OIL COMPANY (US) 1976-05-18 US disclosed