Benzene

Benzene

SCHEMBL3206244

CCCCCCl.c1ccccc1

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.75
ALDH1A1 P00352 2/20 0.75
TDP1 Q9NUW8 2/20 0.62
THRB P10828 1/20 0.44
CHRM2 P08172 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
CHRM1 P11229 2/20 0.40
ACHE P22303 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ABCB11 O95342 1/20 0.40
ESR1 P03372 1/20 0.40
PGR P06401 1/20 0.40
HTR1A P08908 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 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
Benzene SCHEMBL28552874 1.00 TSHR (0.75) TSHRALDH1A1TDP1THRBCHRM2
Benzene SCHEMBL28083573 0.97 TSHR (0.71) TSHRALDH1A1TDP1THRBCHRM2
Benzene SCHEMBL27929657 0.97 TSHR (0.81) TSHRALDH1A1TDP1THRBCHRM2
Benzene SCHEMBL27608169 0.97 TSHR (0.71) TSHRALDH1A1TDP1THRBCHRM2
Benzene SCHEMBL27294944 0.97 TSHR (0.71) TSHRALDH1A1TDP1THRBCHRM2
Benzene SCHEMBL27948351 0.97 TSHR (0.71) TSHRALDH1A1TDP1THRBCHRM2
Benzene SCHEMBL28029341 0.91 TSHR (0.63) TSHRALDH1A1TDP1THRBCHRM2
Benzene SCHEMBL8860084 0.91 TSHR (0.63) TSHRALDH1A1TDP1THRBCHRM2
Benzene SCHEMBL11781494 0.90 TSHR (0.79) TSHRALDH1A1TDP1THRBCHRM2
SCHEMBL276808 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110776550-B C3 and C20 double-esterified glycyrrhetinic acid derivative and preparation method and application thereof 广东工业大学 2021-05-11 CN claimed
CN-110776550-A C3 and C20 double-esterified glycyrrhetinic acid derivative and preparation method and application thereof 广东工业大学 2020-02-11 CN claimed
CN-110292867-A A kind of high throughput organic solvent-resistant nanofiltration gel compound membrane and preparation method thereof 王哲 2019-10-01 CN claimed
CN-109647199-A A kind of preparation method of reverse osmosis membrane and thus obtained reverse osmosis membrane 时代沃顿科技有限公司 2019-04-19 CN claimed
CN-105820282-B A kind of high stability hydrogen bonds are to receptor macroporous absorbent resin and its synthetic method 西安蓝深环保科技有限公司 2018-08-17 CN claimed
CN-104341316-A Diarylamide type derivatives, preparing method thereof, pharmaceutical compositions of the derivatives and uses of the derivatives SHANGHAI INST MATERIA MEDICA 2015-02-11 CN claimed
CN-102659846-A N-substituted phenylbenzimidazole trivalent-iridium organometallic complex and its preparation method and use NINGBO INST MAT TECH & ENG CAS 2012-09-12 CN claimed
US-20100223716-A1 PROTECTIVE ARTICLES CONTAINING N-HALOCHITOSAN E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-09 US claimed
US-20080289088-A1 N-ALKYLCHITOSAN FILMS AND LAMINATES MADE THEREFROM E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-11-27 US claimed
CN-101146772-A Arylamine ketone compound, synthesis method thereof, pharmaceutical composition containing arylamine ketone compound and application of arylamine ketone compound INST MATERIA MEDICA CAMS (CN) 2008-03-19 CN claimed
CN-113838977-A Perovskite solar cell and preparation method thereof 中国科学院苏州纳米技术与纳米仿生研究所 2021-12-24 CN disclosed
CN-113831785-A Metal oxide doped perovskite thin film, solar cell and preparation method 中国科学院苏州纳米技术与纳米仿生研究所 2021-12-24 CN disclosed
CN-113773695-A Metal oxide ink based on chemical modification and preparation method and application thereof 中国科学院苏州纳米技术与纳米仿生研究所 2021-12-10 CN disclosed
CN-110776550-B C3 and C20 double-esterified glycyrrhetinic acid derivative and preparation method and application thereof 广东工业大学 2021-05-11 CN disclosed
CN-110776550-A C3 and C20 double-esterified glycyrrhetinic acid derivative and preparation method and application thereof 广东工业大学 2020-02-11 CN disclosed
CN-1810810-A Process of preparing organic molecular line on the surface of silicon semiconductor UNIV FUDAN (CN) 2006-08-02 CN disclosed
CN-1483057-A Phenylenediamine derivative, polyimide precursor and polyimide using phenylenediamine derivative, and liquid crystal aligning agent 日产化学工业株式会社 2004-03-17 CN disclosed
CN-1049660-A Aminoketone derivative and application thereof MITZUI TOATSU CHEMICALS INC (JP) 1991-03-06 CN disclosed
US-4016172-A DYEING POLYAMIDES AND POLYURETHANES BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3959306-A Azolindolines and azolindoline dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed