Benzene

Benzene

SCHEMBL28322306

CC#N.Cl[Pd].c1ccccc1

nearest known ligand 0.30

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30

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
Acetonitrile SCHEMBL9413988 0.87
Acetonitrile SCHEMBL974756 0.87
Benzene SCHEMBL2174781 0.87 TSHR (0.35) TSHR
Benzene SCHEMBL7054638 0.87 TSHR (0.35) TSHR
Benzene SCHEMBL1039544 0.87
Benzene SCHEMBL28159903 0.87 TSHR (0.35) TSHR
Benzene SCHEMBL28315068 0.82 TSHR (0.33) TSHR
Benzene SCHEMBL28307657 0.82 TSHR (0.33) TSHR
Benzene SCHEMBL17111929 0.82 TSHR (0.33) TSHR
Benzene SCHEMBL28208154 0.82 TSHR (0.33) TSHR

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-107042120-B A kind of acetylene trimerization benzene catalyst and its preparation method and application BEIJING HUAFU ENGINEERING CO., LTD. (CN) 2019-10-29 CN disclosed