Benzene

Benzene

SCHEMBL27966902

COOOC.c1ccccc1

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.33
TP53 P04637 1/20 0.30
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
SCHEMBL202703 0.84
Barium SCHEMBL6681067 0.78
Fluoride SCHEMBL28114248 0.78
SCHEMBL6579117 0.78
SCHEMBL9773908 0.78
Benzene SCHEMBL28259143 0.78 CA4 (0.38) CA4TP53TSHR
Benzene SCHEMBL527921 0.72
Benzene SCHEMBL28271926 0.72 TSHR (0.43) CA4TP53TSHR
SCHEMBL2759622 0.72
Trimethylammonium SCHEMBL27396782 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103980350-B A kind of method of solid cyclization into Atosiban 杭州阿诺生物医药科技股份有限公司 2018-01-09 CN disclosed
CN-103980350-A Solid-phase cyclization synthesis method of Atosiban HANGZHOU SINOPEP PHARMACEUTICA 2014-08-13 CN disclosed