Benzene

Benzene

SCHEMBL28079810

C=CC.C=CC=C.N#CC#N.c1ccccc1

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
Butadiene SCHEMBL28113500 0.90 ALDH1A1 (0.38) ALDH1A1TSHR
Butadiene SCHEMBL27716785 0.90 ALDH1A1 (0.38) ALDH1A1TSHR
Propene SCHEMBL27358161 0.83 ALDH1A1 (0.43) ALDH1A1TSHR
Propene SCHEMBL27279573 0.83
Propene SCHEMBL27569505 0.79
Butadiene SCHEMBL27425173 0.79
Benzene SCHEMBL28244985 0.78 ALDH1A1 (0.33) ALDH1A1TSHR
Benzene SCHEMBL28350386 0.75 ALDH1A1 (0.32) ALDH1A1TSHR
Benzene SCHEMBL371453 0.75
Benzene SCHEMBL2132129 0.75 TSHR (0.35) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103568081-B A kind of laminate and its preparation method and application 上海杰事杰新材料(集团)股份有限公司 2018-01-16 CN claimed
CN-109965442-A Shoe with negative Poisson ratio effect and design method thereof 南京工业大学 2019-07-05 CN disclosed
CN-103073861-B A kind of PLA/ABS/ silicon dioxide compositions and preparation method and application 深圳市亚塑科技有限公司 2016-08-31 CN disclosed