SCHEMBL729425

SCHEMBL729425

C=CCC(CC=C)=C(N)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
FGFR4 P22455 1/20 0.36

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
SCHEMBL731666 0.82 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4
SCHEMBL8575133 0.77 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4
SCHEMBL28195962 0.75 TDP1 (0.38) ALDH1A1TSHRFGFR4
SCHEMBL11359327 0.75 ALDH1A1 (0.33) ALDH1A1TSHRFGFR4
SCHEMBL21224874 0.75 ALDH1A1 (0.33) ALDH1A1TSHRFGFR4
SCHEMBL170138 0.75 TDP1 (0.38) ALDH1A1TSHRFGFR4
SCHEMBL11866326 0.72 ALDH1A1 (0.40) ALDH1A1TSHRFGFR4
SCHEMBL27856342 0.72
SCHEMBL11866338 0.72 ALDH1A1 (0.40) ALDH1A1TSHRFGFR4
SCHEMBL27819 0.72

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-8136676-B2 a membrane or fibers composed of or coated with methoxyethyl methacrylate/2-/-di(ethylene glycol)ethyl ether methacrylate-2-(diethylamino)ethyl methacrylate terpolymer for the selective removal, reduction or separation of white blood cells and/or platelets from blood by passing blood through the medium UNIVERSITY OF SOUTHAMPTON (GB) 2012-03-20 US disclosed
US-20080190843-A1 Polymers Useful as Medical Materials UNIVERSITY OF SOUTHAMPTON (GB) 2008-08-14 US disclosed