SCHEMBL3966601

SCHEMBL3966601

C=C(C)C(=O)OC(C)NC(C)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.37

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
SCHEMBL9321911 0.84 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL2993463 0.80 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL11222542 0.79 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL16295841 0.79 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL7765016 0.77 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL4948163 0.74 TSHR (0.41) ALDH1A1TSHR
SCHEMBL9067251 0.74 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL21990616 0.74 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL3281738 0.74 TSHR (0.41) ALDH1A1TSHR
SCHEMBL14983 0.74 TSHR (0.43) ALDH1A1TSHR

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-2009045384-A1 MODIFICATION OF CELLULOSIC SUBSTRATES TO CONTROL BODY ODOR NANO-TEX, INC. (US) 2009-04-09 WO disclosed