SCHEMBL19915840

SCHEMBL19915840

C=C(CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.30

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
SCHEMBL21443553 0.87 CYP2D6 (0.31) CYP2D6
SCHEMBL411444 0.82 CYP2D6 (0.33) CYP2D6
SCHEMBL7193032 0.82 LMNA (0.36) CYP2D6
SCHEMBL410735 0.82 TSHR (0.38) CYP2D6
SCHEMBL23561385 0.82 CYP2D6 (0.31) CYP2D6
SCHEMBL12970509 0.81
SCHEMBL18782360 0.81 DGKA (0.35) CYP2D6
SCHEMBL23074471 0.79 EPHX2 (0.33) CYP2D6
SCHEMBL10045651 0.78 GAA (0.40) CYP2D6
SCHEMBL1687733 0.77 CYP2D6 (0.34) CYP2D6

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
WO-2018037122-A1 CAPS OR CLOSURES MADE FROM A RESIN COMPOSITION COMPRISING POLYETHYLENE TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2018-03-01 WO disclosed