SCHEMBL5490889

SCHEMBL5490889

ClC(c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
TSHR P16473 1/20 0.50
ACP3 P15309 2/20 0.48
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PTGS2 P35354 1/20 0.45
CYP3A4 P08684 4/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MMP3 P08254 1/20 0.42
BCL2L1 Q07817 1/20 0.42
ESR2 Q92731 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
PLA2G1B P04054 1/20 0.41

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
SCHEMBL12880582 0.97 TSHR (0.52) CHRNB2CHRNA4TSHRACP3CYP1A2
SCHEMBL11820501 0.89 TSHR (0.61) CHRNB2CHRNA4TSHRALDH1A1MAPK1
SCHEMBL6075877 0.88 CYP1A2 (0.68) CHRNB2CHRNA4TSHRCYP1A2ALDH1A1
SCHEMBL11643928 0.86 ALDH1A1 (0.65) CHRNB2CHRNA4TSHRACP3CYP1A2
SCHEMBL151375 0.86 TSHR (0.65) TSHRALDH1A1MAPK1TAAR1HPGD
SCHEMBL11642692 0.84 CYP1A2 (0.45) CHRNB2CHRNA4TSHRACP3CYP1A2
Water SCHEMBL28167159 0.83 TSHR (0.61) TSHRALDH1A1MAPK1TAAR1HPGD
Hydrogen Sulfide SCHEMBL21379318 0.83 TSHR (0.61) TSHRALDH1A1MAPK1TAAR1HPGD
Bromide SCHEMBL21831069 0.83 TSHR (0.61) TSHRALDH1A1MAPK1TAAR1HPGD
SCHEMBL680180 0.81 TSHR (0.68) CHRNB2CHRNA4TSHRACP3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102399-B Preparation method of biphenyl benzoxazole intermediate 4- (alpha-chlorobenzyl) biphenyl 山东创新药物研发有限公司 2025-06-13 CN claimed
CN-116874429-A Preparation method of medicinal bifonazole 山东创新药物研发有限公司 2023-10-13 CN claimed
CN-116102399-A Preparation method of biphenyl benzoxazole intermediate 4- (alpha-chlorobenzyl) biphenyl 山东创新药物研发有限公司 2023-05-12 CN claimed
CN-116023209-A Synthesis method of intermediate and process for preparing bifonazole 重庆西南制药二厂有限责任公司 2023-04-28 CN claimed
CN-112724142-A Antidepressant theophylline derivative and preparation method thereof 籍建亚 2021-04-30 CN claimed
CN-116102399-B Preparation method of biphenyl benzoxazole intermediate 4- (alpha-chlorobenzyl) biphenyl 山东创新药物研发有限公司 2025-06-13 CN disclosed
CN-116874429-A Preparation method of medicinal bifonazole 山东创新药物研发有限公司 2023-10-13 CN disclosed
CN-116102399-A Preparation method of biphenyl benzoxazole intermediate 4- (alpha-chlorobenzyl) biphenyl 山东创新药物研发有限公司 2023-05-12 CN disclosed
CN-116102399-A Preparation method of biphenyl benzoxazole intermediate 4- (alpha-chlorobenzyl) biphenyl 山东创新药物研发有限公司 2023-05-12 CN disclosed
CN-116102399-A Preparation method of biphenyl benzoxazole intermediate 4- (alpha-chlorobenzyl) biphenyl 山东创新药物研发有限公司 2023-05-12 CN disclosed
CN-116023209-A Synthesis method of intermediate and process for preparing bifonazole 重庆西南制药二厂有限责任公司 2023-04-28 CN disclosed
CN-112724142-A Antidepressant theophylline derivative and preparation method thereof 籍建亚 2021-04-30 CN disclosed
CN-1110478-C Biocidal benzylbiphenyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2003-06-04 CN disclosed
US-6440440-B1 BACTERICIDES, FUNGICIDES, NEMATOCIDES, MITICIDES, INSECTICIDES, AND HERBICIDES JANSSEN PHARMACEUTICA N.V. (BE) 2002-08-27 US disclosed
CN-1295562-A Biocidal benzylbiphenyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2001-05-16 CN disclosed
EP-1066259-A1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP disclosed
WO-1999051578-A1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-14 WO disclosed
US-4243670-A MICROBORICIDES; FUNGICIDES; SPORICIDES; HYGIENE BAYER AKTIENGESELLSCHAFT (DE) 1981-01-06 US disclosed
EP-0000017-A1 1-(2-Phenylethyl)-triazolium salts, their preparation and their use as fungicides BAYER AG (DE) 1978-12-20 EP disclosed
US-4118487-A ANTIMICROBIAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed