Benzene

Benzene

SCHEMBL28290730

CCC(C)=N.c1ccccc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL7783904 0.88
SCHEMBL408066 0.88
Ammonia Solution, Strong SCHEMBL21806562 0.84
Propane SCHEMBL28719059 0.84
Water SCHEMBL28157030 0.84
SCHEMBL27498321 0.84
Ethylene Glycol SCHEMBL28801750 0.77
Dimethylamine SCHEMBL28015897 0.74
Urea SCHEMBL27525152 0.72
Propionamide SCHEMBL30089574 0.70

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
CN-109705297-A The fast expansion type filling polyurethane foam compositions of the warm and humid response of one kind and preparation method and purposes 万华化学集团股份有限公司 2019-05-03 CN disclosed