SCHEMBL10490656

SCHEMBL10490656

Cc1cc([C]=O)ccc1I

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL27655580 0.83 TTR (0.31)
SCHEMBL5367039 0.82 TRPA1 (0.35) TRPA1CYP3A4
SCHEMBL98096 0.78 ALDH1A1 (0.40) TRPA1CYP3A4
SCHEMBL2565697 0.77 TTR (0.46)
SCHEMBL16958957 0.77
SCHEMBL10090609 0.77 HDAC8 (0.33)
SCHEMBL31483658 0.77 TTR (0.46)
SCHEMBL7786851 0.74 TRPA1 (0.32) TRPA1CYP3A4
SCHEMBL3279463 0.73 GRM5 (0.44)
SCHEMBL10944967 0.73 CYP3A4 (0.50) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US claimed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP claimed
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US disclosed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP disclosed