Benzene

Benzene

SCHEMBL5364982

CCO.N=C=O.N=C=O.c1ccccc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Benzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
FFAR3 O14843 1/20 0.32

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 SCHEMBL11418994 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFFAR3
Benzene SCHEMBL10534848 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFFAR3
Benzene SCHEMBL406944 0.97 ALDH1A1 (0.38) ALDH1A1TSHRFFAR3
Alcohol SCHEMBL10600288 0.89
Alcohol SCHEMBL28056662 0.89
Alcohol SCHEMBL29125643 0.89 ALDH1A1 (0.50) ALDH1A1TSHR
Benzene SCHEMBL11413448 0.88 ALDH1A1 (0.33) ALDH1A1TSHRFFAR3
Benzene SCHEMBL483874 0.86
Benzene SCHEMBL21828967 0.86
Benzene SCHEMBL471859 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022125953-A1 COATED PARTICLES FOR TURF INFILL COGNITION THERAPEUTICS, INC. (US) 2022-06-16 WO claimed
WO-2022126013-A1 COATED PARTICLES FOR TURF INFILL PREFERRED TECHNOLOGY, LLC (US) 2022-06-16 WO claimed
US-20220186037-A1 COATED PARTICLES FOR TURF INFILL PREFERRED TECHNOLOGY, LLC 2022-06-16 US claimed
US-9382469-B2 Process for the production of coated proppants ASHLAND-SUDCHEMIE-KERNFEST GMBH (DE) 2016-07-05 US claimed
US-20140345864-A1 METHOD FOR PRODUCING COATED PROPPANTS ASHLAND-SUDCHEMIE-KERNFEST GMBH (DE) 2014-11-27 US claimed
US-20140060833-A1 PROCESS FOR THE PRODUCTION OF COATED PROPPANTS Ashland-Sudchemie-Kemfest GmbH (DE) 2014-03-06 US claimed
US-20120279703-A1 COATED AND CURED PROPPANTS ALTER DOMUS (US) LLC, AS ADMINISTRATIVE AGENT 2012-11-08 US claimed
US-20120283153-A1 COATED AND CURED PROPPANTS ALTER DOMUS (US) LLC, AS ADMINISTRATIVE AGENT 2012-11-08 US claimed
US-20240228691-A1 SUSTAINABLE RESILIENT PLANK HMTX INDUSTRIES LLC 2024-07-11 US disclosed
US-11958933-B2 Sustainable resilient plank TOWER IPCO COMPANY LIMITED (IE) 2024-04-16 US disclosed
US-11760924-B2 Proppant with enhanced interparticle bonding PREFERRED TECHNOLOGY, LLC (US) 2023-09-19 US disclosed
CN-115667343-A Sustainable elastic plate 塔伊普科有限公司 2023-01-31 CN disclosed
WO-2022126013-A1 COATED PARTICLES FOR TURF INFILL PREFERRED TECHNOLOGY, LLC (US) 2022-06-16 WO disclosed
US-20220186037-A1 COATED PARTICLES FOR TURF INFILL PREFERRED TECHNOLOGY, LLC 2022-06-16 US disclosed
US-20120279703-A1 COATED AND CURED PROPPANTS ALTER DOMUS (US) LLC, AS ADMINISTRATIVE AGENT 2012-11-08 US disclosed
WO-2012151260-A1 COATED AND CURED PROPPANTS PREFERRED UNLIMITED, INC. (US) 2012-11-08 WO disclosed
US-7262255-B2 Polyesterether copolymer; neutralized with amine, ammonia ASHLAND-SUDCHEMIE-KERNFEST GMBH (DE) 2007-08-28 US disclosed
US-20040157986-A1 Polyester resin emulsion and two-component aqueous paint ASK CHEMICALS GMBH (DE) 2004-08-12 US disclosed
US-4184031-A Control of cure rate of polyurethane resins THIOKOL CORPORATION (US) 1980-01-15 US disclosed
US-4110135-A CURED HYDROXY TERMINATED POLYBUTADIENE BASED POLYURETHANE BOUND GRAIN THIOKOL CORPORATION (US) 1978-08-29 US disclosed