SCHEMBL8740206

SCHEMBL8740206

O=C(O)c1ooc1C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46

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
SCHEMBL4353430 0.84 CYP1A2 (0.59) CYP1A2
SCHEMBL1582401 0.63 CYP1A2 (1.00) CYP1A2
SCHEMBL9407785 0.58 ALDH1A1 (0.39) CYP1A2
SCHEMBL9290781 0.58 ALDH1A1 (0.39) CYP1A2
SCHEMBL78716 0.55 CA1 (0.50) CYP1A2
SCHEMBL1781916 0.55
Bicarbonate SCHEMBL6250699 0.55
SCHEMBL9181149 0.55
SCHEMBL815 0.55
SCHEMBL8913308 0.54 ALDH1A1 (0.47)

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
US-5644004-A Multi-component ethylenically unsaturated peroxyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1997-07-01 US disclosed
US-5420173-A Curing unsaturated polyesters and peroxyester compositions ARKEMA INC. 1995-05-30 US disclosed