Benzene

Benzene

SCHEMBL28307657

CC#N.N.c1ccccc1

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
TP53 P04637 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
Benzene SCHEMBL1039544 0.95
Benzene SCHEMBL28159903 0.95 TSHR (0.35) TSHRTP53
Benzene SCHEMBL2174781 0.95 TSHR (0.35) TSHRTP53
Benzene SCHEMBL7054638 0.95 TSHR (0.35) TSHRTP53
Benzene SCHEMBL17111929 0.90 TSHR (0.33) TSHRTP53
Benzene SCHEMBL28315068 0.90 TSHR (0.33) TSHRTP53
Benzene SCHEMBL28208154 0.90 TSHR (0.33) TSHRTP53
Benzene SCHEMBL27912368 0.86 TSHR (0.32) TSHR
Acetonitrile SCHEMBL25284595 0.84 TSHR (0.33) TSHR
Acetonitrile SCHEMBL9935942 0.84 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-109912439-A Method for continuously and rapidly preparing DL-phenylglycine and analogue thereof by using cyanohydrin method 禄丰天宝磷化工有限公司 2019-06-21 CN disclosed