Benzene

Benzene

SCHEMBL13858975

FC(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.c1ccccc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.30
TSHR P16473 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 SCHEMBL19915272 0.95
Benzene SCHEMBL17221861 0.95
Benzene SCHEMBL1493114 0.95
Benzene SCHEMBL28519640 0.84 TP53 (0.43) TP53TSHR
Benzene SCHEMBL7949738 0.84 TP53 (0.43) TP53TSHR
Benzene SCHEMBL1493040 0.84 TP53 (0.43) TP53TSHR
SCHEMBL1901757 0.84
Benzene SCHEMBL28390273 0.84 TP53 (0.43) TP53TSHR
SCHEMBL1878838 0.84
Benzene SCHEMBL9053385 0.84 TP53 (0.43) TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303402-A1 Detection and Molecular Weight Determination of Organic Vapors Board of Supervisors of Louisiana State University and Agricultural and Mechinical College (US) 2013-11-14 US disclosed
WO-2012158214-A2 DETECTION AND MOLECULAR WEIGHT DETERMINATION OF ORGANIC VAPORS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-11-22 WO disclosed