SCHEMBL7105071

SCHEMBL7105071

O[C@@H](CBr)c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.48
ADRB1 P08588 4/20 0.48
ADRB2 P07550 2/20 0.48
SLC2A1 P11166 2/20 0.47
IDO1 P14902 3/20 0.46
LMNA P02545 1/20 0.45
ACP3 P15309 1/20 0.44
TDO2 P48775 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 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
SCHEMBL8098427 1.00 ADRB3 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL7107297 1.00 ADRB3 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL767795 0.85 ADRB3 (0.49) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL2879198 0.85 ADRB3 (0.49) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL1154749 0.85 ADRB3 (0.49) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL98267 0.83 ADRB3 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL1560927 0.83 ADRB3 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL3917396 0.83 ADRB3 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL7389269 0.82 ADRB1 (0.42) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL23489604 0.82 ADRB3 (0.47) ADRB3ADRB1ADRB2SLC2A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102344947-A Biological enzyme resolution method for preparing (R)-2-chloro-1-(3-chlorphenyl) ethanol with high optical purity CHONGQING HUIJIAN BIO TECHNOLOGY CO LTD 2012-02-08 CN disclosed
EP-0792936-B1 Process for the preparation of optically active 2-halo-1-(substituted phenyl) ethanol MITSUBISHI CHEM CORP (JP) 2003-01-29 EP disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
EP-0763005-B1 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR INC (US) 2000-08-23 EP disclosed
US-5841001-A ALLOWING 2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL TO CONTACT ENZYME STEREOSELECTIVELY CATALYZING ESTER INTERCHANGE IN PRESENCE OF CARBOXYLIC ANHYDRIDE MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-24 US disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0763005-A4 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR INC (US) 1997-10-22 EP disclosed
EP-0792936-A2 Process for the preparation of optically active 2-halo-1-(substituted phenyl) ethanol Mitsubishi Chemical Corporation (JP) 1997-09-03 EP disclosed
EP-0763005-A1 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR, INC. (US) 1997-03-19 EP disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed
US-5495054-A REDUCING PROCHIRAL KETONES TO ENANTIOMERICALLY PURE ALCOHOLS WITH BORANE REDUCING AGENT SEPRACOR, INC. (US) 1996-02-27 US disclosed
WO-1995032937-A1 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR, INC. (US) 1995-12-07 WO disclosed