SCHEMBL8362086

SCHEMBL8362086

BrC(OC(Br)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TRPA1 O75762 1/20 0.44
CYP2D6 P10635 1/20 0.42
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 2/20 0.38
HTR2A P28223 1/20 0.38
SRC P12931 1/20 0.36
LMNA P02545 2/20 0.35
HRH1 P35367 1/20 0.35
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35
GRM7 Q14831 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL3925766 0.85 CES2 (0.38) CES2CES1TRPA1CYP2D6DPP4
SCHEMBL28495047 0.83 HCAR2 (0.39) CES2CES1TRPA1CYP2D6TAAR1
SCHEMBL11513291 0.82 CES2 (0.44) CES2CES1TRPA1CYP2D6DPP4
SCHEMBL2220602 0.78 KMT2A (0.41) CES2CES1TRPA1DPP4F2
SCHEMBL8923611 0.78 CES2 (0.41) CES2CES1TRPA1CYP2D6DPP4
SCHEMBL1970776 0.76 MAPK1 (0.44) CES2CES1TRPA1TSHRTAAR1
SCHEMBL3485914 0.76 SLC6A4 (0.41) CES2CES1TRPA1DPP4F2
Hydrochloric Acid SCHEMBL11777006 0.76 KMT2A (0.40) CES2CES1TRPA1DPP4F2
SCHEMBL6930765 0.74 KMT2A (0.39) CES2CES1TRPA1CYP2D6DPP4
SCHEMBL7563457 0.72 L3MBTL1 (0.42) CES2CES1TRPA1CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117003822-A SG3C bromobenzyl ether derivative, preparation method and application 江苏省原子医学研究所 2023-11-07 CN claimed
CN-117003815-A SG2C bromobenzyl ether derivative, preparation method and application 江苏省原子医学研究所 2023-11-07 CN claimed
CN-111943876-B N2S2 bromo-benzyl ether derivative, preparation method and application 江苏省原子医学研究所 2022-04-19 CN claimed
CN-109195960-B Bromo-benzyl ether derivative, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2021-05-04 CN claimed
CN-111943876-A N2S2 bromo-benzyl ether derivative, preparation method and application 江苏省原子医学研究所 2020-11-17 CN claimed
CN-108069956-A 1- azabicyclos [2,2,2] octyl- 4- base phenyl ketone compounds and its preparation method and application 扬州奥锐特药业有限公司 2018-05-25 CN claimed
CN-104530417-B A kind of multiple functionalized H types polyethyleneglycol derivative and preparation method thereof 厦门赛诺邦格生物科技股份有限公司 2017-09-08 CN claimed
CN-104530415-B A kind of different functionalization Y types polyethyleneglycol derivative, preparation method and its bio-related substance 厦门赛诺邦格生物科技股份有限公司 2017-09-01 CN claimed
CN-103420949-B A kind of separation method of epoxychloropropane SINOPEC CORP. (CN) 2016-05-25 CN claimed
CN-104530417-A Multifunctional H-type polyethylene glycol derivative and preparation method thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104530415-A Hetero-functionalized Y-type polyethylene glycol derivative, preparation method and biologically related substance thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104109235-A Mono-functionalized polyethylene glycol with nitrogen atom branched center and its preparation method and biologically-relevant matter XIAMEN SINOPEG BIOTECH CO LTD 2014-10-22 CN claimed
CN-100355772-C Steroid compound with 5-alpha reductase active and preparation process thereof UNIV TIANJIN (CN) 2007-12-19 CN claimed
CN-1793164-A Steroid compound with 5-alpha reductase active and preparation process thereof UNIV TIANJIN (CN) 2006-06-28 CN claimed
CN-117003815-A SG2C bromobenzyl ether derivative, preparation method and application 江苏省原子医学研究所 2023-11-07 CN disclosed
CN-117003815-A SG2C bromobenzyl ether derivative, preparation method and application 江苏省原子医学研究所 2023-11-07 CN disclosed
CN-117003815-A SG2C bromobenzyl ether derivative, preparation method and application 江苏省原子医学研究所 2023-11-07 CN disclosed
CN-1793164-A Steroid compound with 5-alpha reductase active and preparation process thereof UNIV TIANJIN (CN) 2006-06-28 CN disclosed
CN-1738713-A Laminated structure excellent in fuel permeation preventing performance UBE INDUSTRIES (JP) 2006-02-22 CN disclosed
WO-1999041216-A1 SUPPORTS FOR SOLID STATE CHEMICAL REACTIONS AND METHOD OF USE THEREOF CHEMBRIDGE CORPORATION (US) 1999-08-19 WO disclosed