Benzene

Benzene

SCHEMBL17644459

C=CCCCCCCCCCC.[Na].c1ccccc1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.80
ALDH1A1 P00352 2/20 0.62
ABCC4 O15439 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.40
EP300 Q09472 1/20 0.40
DUSP3 P51452 1/20 0.39
PTPN7 P35236 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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 SCHEMBL7948574 0.97 TSHR (0.84) TSHRALDH1A1ABCC4MAPTTHRB
Benzene SCHEMBL8076348 0.97 TSHR (0.84) TSHRALDH1A1ABCC4MAPTTHRB
Benzene SCHEMBL28086027 0.97 TSHR (0.84) TSHRALDH1A1ABCC4MAPTTHRB
Benzene SCHEMBL8076354 0.97 TSHR (0.84) TSHRALDH1A1ABCC4MAPTTHRB
Benzene SCHEMBL459942 0.97 TSHR (0.84) TSHRALDH1A1ABCC4MAPTTHRB
Benzene SCHEMBL6734912 0.95 TSHR (0.79) TSHRALDH1A1ABCC4MAPTKDM4E
SCHEMBL30844075 0.92 TSHR (0.94) TSHRALDH1A1ABCC4MAPTTHRB
SCHEMBL31299608 0.92 TSHR (0.94) TSHRALDH1A1ABCC4MAPTTHRB
SCHEMBL29389779 0.92 TSHR (0.94) TSHRALDH1A1ABCC4MAPTTHRB
SCHEMBL30932121 0.92 TSHR (0.94) TSHRALDH1A1ABCC4MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2738236-B1 NOVEL ANIONIC POLYALKOXY GROUP COMPRISING SURFACTANTS ON BASIS OF GUERBET-ALCOHOLS AND USE IN ENHANCED OIL RECOVERY (EOR) APPLICATIONS UNIV TEXAS (US) 2016-04-06 EP disclosed