Benzene

Benzene

SCHEMBL7973395

C=CC1COCO1.c1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL1862726 0.93
SCHEMBL9781317 0.73
Butadiene Epoxide SCHEMBL39877 0.73
Butadiene Epoxide SCHEMBL335040 0.73
SCHEMBL5609192 0.70
SCHEMBL1559778 0.70 TDP1 (0.93) TDP1
Butadiene Epoxide SCHEMBL10496505 0.70
SCHEMBL5087079 0.68 TDP1 (0.57) TDP1
SCHEMBL7697518 0.68 TDP1 (0.57) TDP1
SCHEMBL5689470 0.68

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
US-6194569-B1 REACTING AZETIDINE CARBOXAMIDE COMPOUND WITH PIPERAZINE COMPOUND IN PRESENCE OF AQUEOUS BASE AND PHASE TRANSFER CATALYST DUPONT PHARMACEUTICALS COMPANY 2001-02-27 US disclosed