Benzene

Benzene

SCHEMBL406944

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

nearest known ligand 0.38

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 0.38
TSHR P16473 1/20 0.38
FFAR3 O14843 1/20 0.30

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 SCHEMBL10534848 0.97 ALDH1A1 (0.40) ALDH1A1TSHRFFAR3
Benzene SCHEMBL11418994 0.97 ALDH1A1 (0.40) ALDH1A1TSHRFFAR3
Benzene SCHEMBL5364982 0.97 ALDH1A1 (0.40) ALDH1A1TSHRFFAR3
Propane SCHEMBL28907052 0.87 ALDH1A1 (0.43) ALDH1A1TSHR
Alcohol SCHEMBL28056662 0.87
Alcohol SCHEMBL29125643 0.87 ALDH1A1 (0.50) ALDH1A1TSHR
Alcohol SCHEMBL10600288 0.87
Benzene SCHEMBL11413448 0.85 ALDH1A1 (0.33) ALDH1A1TSHRFFAR3
Benzene SCHEMBL483874 0.83
Benzene SCHEMBL21828967 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250291-A1 A METHOD FOR REDUCING HYDROGEN SULFIDE EMISSIONS DURING PRODUCTION OF ASPHALT COMPOSITION BASF SE (DE) 2023-08-10 US claimed
EP-4179027-A1 A METHOD FOR REDUCING HYDROGEN SULFIDE EMISSIONS DURING PRODUCTION OF ASPHALT COMPOSITION BASF SE (DE) 2023-05-17 EP claimed
US-20230057607-A1 ASPHALT COMPOSITION COMPRISING THERMOSETTING REACTIVE COMPOUND BASF SE (DE) 2023-02-23 US claimed
CN-115551950-A Process for reducing hydrogen sulfide emissions during the production of asphalt compositions 巴斯夫欧洲公司 2022-12-30 CN claimed
CN-114929769-A Bituminous composition comprising a thermosetting reactive compound 巴斯夫欧洲公司 2022-08-19 CN claimed
WO-2022084394-A1 COMPOSITE ARTICLE BASF SE (DE) 2022-04-28 WO claimed
CN-114222771-A Polyurethane gels for medical padding applications 巴斯夫欧洲公司 2022-03-22 CN claimed
WO-2022008754-A1 A METHOD FOR REDUCING HYDROGEN SULFIDE EMISSIONS DURING PRODUCTION OF ASPHALT COMPOSITION BASF SE (DE) 2022-01-13 WO claimed
WO-2021148418-A1 ASPHALT COMPOSITION COMPRISING THERMOSETTING REACTIVE COMPOUND BASF SE (DE) 2021-07-29 WO claimed
WO-2021053012-A1 A POLYURETHANE GEL FOR MEDICAL PADDING APPLICATION BASF SE (DE) 2021-03-25 WO claimed
EP-4396268-A1 PROCESS FOR PREPARATION OF ASPHALT MIX COMPOSITION BASF SE (DE) 2024-07-10 EP disclosed
EP-4396411-A1 PROCESS FOR PREPARATION OF ASPHALT MIX COMPOSITION, ASPHALT MIX COMPOSITION AND ITS USE BASF SE (DE) 2024-07-10 EP disclosed
US-20240217165-A1 PROCESS OF MODIFYING SURFACE OF A COMPOSITE MATERIAL BASE UNIT BASF SE (DE) 2024-07-04 US disclosed
WO-2024137411-A1 POLYURETHANE FOAM WITH EO/PO COPOLYMER BASF SE (DE) 2024-06-27 WO disclosed
WO-2024137400-A1 HYBRID COIL SPRING ISOLATOR BASF SE (DE) 2024-06-27 WO disclosed
US-20120018162-A1 PROPPANT BASF SE (DE) 2012-01-26 US disclosed
WO-2012010627-A1 A PROPPANT BASF SE (DE) 2012-01-26 WO disclosed
US-20110311793-A1 Polyurethane Foam Article And Method of Forming Same BASF SE (DE) 2011-12-22 US disclosed
EP-2350228-A1 A PROPPANT BASF SE (DE) 2011-08-03 EP disclosed
WO-2010049467-A1 A PROPPANT BASF SE (DE) 2010-05-06 WO disclosed