Benzene

Benzene

SCHEMBL6012075

O=C(N=S(=O)=O)N=S(=O)=O.c1ccccc1

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL11044982 0.89 CA1 (0.31)
Benzene SCHEMBL11377950 0.73 FFAR3 (0.35)
Benzene SCHEMBL3120365 0.73 CYP3A4 (0.37)
Benzene SCHEMBL27536972 0.71 CYP3A4 (0.35)
Benzene SCHEMBL28203037 0.71 CYP3A4 (0.35)
Benzene SCHEMBL28169481 0.69
SCHEMBL219138 0.69
SCHEMBL9727069 0.69
SCHEMBL10797706 0.69
Ammonia Solution, Strong SCHEMBL28218758 0.67

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-7026477-B1 Process for preparing substituted phenylsulfonylureas from sulfonyl halides AVENTIS CROPSCIENCE GMBH (DE) 2006-04-11 US disclosed