Benzene

Benzene

SCHEMBL28069769

N#CCC=O.c1ccccc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
Water SCHEMBL9216449 0.90
SCHEMBL43598 0.90
SCHEMBL30117302 0.87
Hydrochloric Acid SCHEMBL30319590 0.87
SCHEMBL3900993 0.87
Furan SCHEMBL28124278 0.82 MAPK1 (0.38)
Thiophene SCHEMBL28124241 0.82
Bromobenzene SCHEMBL28790726 0.82 ALDH1A1 (0.46) TSHR
Fluorobenzene SCHEMBL28163588 0.82 PKM (0.36) TSHR
Carbamic Acid SCHEMBL28310188 0.80

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-108840847-A A kind of preparation method of 2- amino -4,6- diphenyl -4H- pyrans -3,5- dintrile 佛山煜新科技有限公司 2018-11-20 CN disclosed
CN-105566198-B A kind of 3 dicarbapentaborane substituent indole compounds and preparation method thereof 新乡医学院 2018-04-20 CN disclosed
CN-105566198-A 3-dicarbonyl substitution indole compound and preparation method thereof UNIV XINXIANG MEDICAL 2016-05-11 CN disclosed