Benzene

Benzene

SCHEMBL243909

CCCCOO.c1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
TSHR P16473 4/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
NR5A1 Q13285 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 1/20 0.36
PLA2G4B P0C869 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
SCHEMBL15345 0.91
SCHEMBL28176162 0.91
Benzene SCHEMBL28190998 0.89 GBA1 (0.46) TSHRALDH1A1NR5A1TP53CYP3A4
SCHEMBL7160858 0.88
SCHEMBL20543433 0.88
SCHEMBL8073511 0.88
Ammonia Solution, Strong SCHEMBL9929515 0.88
SCHEMBL22462716 0.88
SCHEMBL11759138 0.88
SCHEMBL27387041 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292573-B1 METHOD FOR PRODUCING AN ALKYLATED AROMATIC COMPOUND AND METHOD FOR PRODUCING PHENOL MITSUI CHEMICALS INC (JP) 2018-01-10 EP disclosed
US-8536394-B2 Process for producing alkylated aromatic compounds and process for producing phenols MITSUI CHEMICALS, INC. (JP) 2013-09-17 US disclosed
US-8273932-B2 Process for producing alkylated aromatic compounds and process for producing phenol MITSUI CHEMICALS, INC. (JP) 2012-09-25 US disclosed
US-20120004471-A1 PROCESS FOR PRODUCING ALKYLATED AROMATIC COMPOUNDS AND PROCESS FOR PRODUCING PHENOLS MITSUI CHEMICALS, INC. 2012-01-05 US disclosed
US-20110092745-A1 PROCESS FOR PRODUCING ALKYLATED AROMATIC COMPOUNDS AND PROCESS FOR PRODUCING PHENOL MITSUI CHEMICALS, INC. (JP) 2011-04-21 US disclosed
EP-2292573-A1 METHOD FOR PRODUCING AN ALKYLATED AROMATIC COMPOUND AND METHOD FOR PRODUCING PHENOL Mitsui Chemicals, Inc. (JP) 2011-03-09 EP disclosed
WO-2008101617-A1 OXIDATION OF SEC-BUTYLBENZENE AND PRODUCTON OF PHENOL AND METHYL ETHYL KETONE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-08-28 WO disclosed
WO-2008073534-A1 METAL OXIDE AND SULFUR-CONTAINING COATING COMPOSITIONS, METHODS OF USE, AND ARTICLES PREPARED THEREFROM GENERAL ELECTRIC COMPANY (US) 2008-06-19 WO disclosed
WO-2008048548-A2 LOW SHRINKAGE SHEET MOLDED COMPOSITE FORMULATIONS ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2008-04-24 WO disclosed
WO-2008048735-A1 POLY (ARYLENE ETHER) AND METHOD FOR PREPARING THEM SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-04-24 WO disclosed
EP-1701997-A1 THERMOPLASTIC COMPOSITION CONTAINING POLYMERIC ANTI-STATIC SALT, METHOD OF MAKING, AND USE THEREOF GENERAL ELECTRIC COMPANY (US) 2006-09-20 EP disclosed
EP-1594829-A1 METHOD OF MAKING HIGH PURITY PHENOL SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2005-11-16 EP disclosed
WO-2005066253-A1 THERMOPLASTIC COMPOSITION CONTAINING POLYMERIC ANTI-STATIC SALT, METHOD OF MAKING, AND USE THEREOF GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO disclosed
WO-2004072008-A1 METHOD OF MAKING HIGH PURITY PHENOL SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-08-26 WO disclosed