Benzene

Benzene

SCHEMBL28301463

CCCC=S.c1ccccc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL40686 0.89
SCHEMBL8851314 0.86
SCHEMBL101678 0.69
SCHEMBL7482490 0.69
Benzene SCHEMBL22556927 0.67 TSHR (0.35) TSHRALDH1A1
Benzene SCHEMBL28318079 0.67 ALDH1A1 (0.80) TSHRALDH1A1
Benzene SCHEMBL5685386 0.67 TSHR (0.80) TSHRALDH1A1
SCHEMBL4619364 0.65 TSHR (0.52) TSHR
SCHEMBL103686 0.65 TSHR (0.52) TSHR
Benzene SCHEMBL11800307 0.65 ALDH1A1 (0.33) TSHRALDH1A1

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-109917046-A A kind of detection method of Yunnan truffle aroma substance 上海应用技术大学 2019-06-21 CN disclosed