SCHEMBL9355802

SCHEMBL9355802

C#CCc1c(I)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33

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
SCHEMBL8070216 0.81 CYP1A2 (0.34) CYP1A2
SCHEMBL295603 0.78 CYP1A2 (0.44) CYP1A2
SCHEMBL28106442 0.72 CYP1A2 (0.46) CYP1A2
SCHEMBL11056088 0.70 CYP1A2 (0.44) CYP1A2
SCHEMBL8463288 0.68 CYP1A2 (0.34) CYP1A2
SCHEMBL8464196 0.68 CYP1A2 (0.34) CYP1A2
SCHEMBL8577014 0.68 CYP1A2 (0.46) CYP1A2
SCHEMBL8073247 0.68
SCHEMBL106659 0.68 CYP1A2 (0.46) CYP1A2
SCHEMBL22989 0.66 CYP1A2 (0.61) CYP1A2

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
EP-0359442-B1 Mono-iodopropargyl esters of dicarboxylic anhydrides and their use as antimicrobial agents LONZA AG (US) 1994-10-19 EP claimed