SCHEMBL7686831

SCHEMBL7686831

C=CCCC1(O)CC(C)(C)NC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL6024727 0.79 GAA (0.34) GAAALDH1A1
SCHEMBL7691005 0.74
SCHEMBL8204243 0.74
SCHEMBL11364243 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL22492710 0.67
SCHEMBL22492428 0.67
SCHEMBL11055275 0.67 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11372652 0.64 ALDH1A1 (0.38) ALDH1A1
SCHEMBL243842 0.63
SCHEMBL11546570 0.63 ALDH1A1 (0.33) ALDH1A1

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-20020128406-A1 PROCESS FOR POLYMERIZING UNSATURATED POLYALKYLPIPERIDINES WILEN CARL-ERIC MAGNUS (FI) 2002-09-12 US disclosed