SCHEMBL11548531

SCHEMBL11548531

CC(CO)CC(C)(CO)CCCCO

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL6282683 0.80 TSHR (0.38)
SCHEMBL10928501 0.78 CYP4F2 (0.39) CYP4F2CYP4A11
SCHEMBL9346162 0.75 CYP4F2 (0.42) CYP4F2CYP4A11
SCHEMBL12191374 0.75 SMN1; SMN2 (0.40) CYP4F2CYP4A11
SCHEMBL28783207 0.73 SMN1; SMN2 (0.30)
SCHEMBL10557078 0.72 CYP4F2 (0.39) CYP4F2CYP4A11
SCHEMBL9721043 0.71 TSHR (0.41)
1,4-Butanediol SCHEMBL1318678 0.69 SMN1; SMN2 (0.44) CYP4F2CYP4A11
SCHEMBL14978154 0.69 SMN1; SMN2 (0.44) CYP4F2CYP4A11
1,4-Butanediol SCHEMBL730176 0.69 TSHR (0.45)

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
US-4139536-A Process for the recovery of nicotinamide DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-02-13 US disclosed