SCHEMBL3980359

SCHEMBL3980359

O=[C]CCC1(O)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL595778 0.78 CYP2C19 (0.37) CYP2C19ALDH1A1
SCHEMBL27651887 0.77 CYP2C19 (0.35) CYP2C19ALDH1A1
SCHEMBL4774527 0.74 CYP2C19 (0.36) CYP2C19ALDH1A1
SCHEMBL14964762 0.73 TSHR (0.30) CYP2C19
SCHEMBL596112 0.73 CYP2C19 (0.34) CYP2C19ALDH1A1
SCHEMBL596917 0.73 CYP2C19 (0.34) CYP2C19ALDH1A1
SCHEMBL5505112 0.72 CYP2C19 (0.32) CYP2C19ALDH1A1
SCHEMBL596557 0.70 CYP2C19 (0.33) CYP2C19ALDH1A1
SCHEMBL596129 0.70 CYP2C19 (0.33) CYP2C19ALDH1A1
SCHEMBL1580146 0.70 CYP2C19 (0.33) CYP2C19ALDH1A1

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
EP-2057699-A1 UV-PHOTOPOLYMERIZABLE COMPOSITION FOR PRODUCING ORGANIC CONDUCTIVE LAYERS, PATTERNS OR PRINTS Agfa-Gevaert (BE) 2009-05-13 EP disclosed
WO-2008022908-A1 UV-PHOTOPOLYMERIZABLE COMPOSITION FOR PRODUCING ORGANIC CONDUCTIVE LAYERS, PATTERNS OR PRINTS AGFA-GEVAERT (BE) 2008-02-28 WO disclosed