Benzene

Benzene

SCHEMBL8586237

C=C.C=CC.CC.c1ccccc1

nearest known ligand 0.32

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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 SCHEMBL28287159 0.95 TSHR (0.33) ALDH1A1TSHR
Benzene SCHEMBL27783410 0.95 TSHR (0.33) ALDH1A1TSHR
Benzene SCHEMBL28350386 0.91 ALDH1A1 (0.32) ALDH1A1TSHR
Benzene SCHEMBL10949797 0.91 TSHR (0.35) ALDH1A1TSHR
Benzene SCHEMBL2132129 0.91 TSHR (0.35) ALDH1A1TSHR
Benzene SCHEMBL11576469 0.91 TSHR (0.35) ALDH1A1TSHR
Benzene SCHEMBL371453 0.91
Benzene SCHEMBL27449294 0.91 TSHR (0.35) ALDH1A1TSHR
Benzene SCHEMBL10689677 0.86 TSHR (0.33) ALDH1A1TSHR
Benzene SCHEMBL9805461 0.86 TSHR (0.33) ALDH1A1TSHR

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
WO-1998032720-A1 PROCESS FOR THE TREATMENT OF FCCU OFF GAS CATALYTIC DISTILLATION TECHNOLOGIES (US) 1998-07-30 WO disclosed