SCHEMBL15445514

SCHEMBL15445514

CC(=O)NC(C)COCC(C)NC(=O)CCC(=O)NC(C)COCC(C)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.46
MTNR1B P49286 9/20 0.46
ACACB O00763 6/20 0.41
ACACA Q13085 1/20 0.41
LPAR3 Q9UBY5 1/20 0.36
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL13091634 0.89 MTNR1A (0.53) MTNR1AMTNR1BACACBACACAALDH1A1
SCHEMBL19428649 0.85 FAAH (0.57) LPAR3
SCHEMBL22425814 0.83 MTNR1A (0.49) MTNR1AMTNR1BACACBACACAALDH1A1
SCHEMBL22425849 0.83 MTNR1A (0.49) MTNR1AMTNR1BACACBACACAALDH1A1
SCHEMBL15856244 0.80 MTNR1A (0.46) MTNR1AMTNR1BACACBACACAALDH1A1
SCHEMBL24496938 0.79 MTNR1A (0.49) MTNR1AMTNR1BACACBACACAALDH1A1
SCHEMBL15686682 0.77 CYP2C9 (0.45) MTNR1AMTNR1BACACBACACALPAR3
SCHEMBL12934300 0.76 HSD17B10 (0.48) MTNR1AMTNR1BACACBACACA
SCHEMBL997169 0.74
SCHEMBL8664457 0.74

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160247633-A1 OXIDANT MIXTURE FOR CONJUGATED POLYMER SYNTHESIS IND TECH RES INST (TW) 2016-08-25 US disclosed
US-9355785-B2 Electrolyte mixture, electrolytic capacitor having the same and oxidant mixture for conjugated polymer synthesis INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2016-05-31 US disclosed
US-20140027663-A1 ELECTROLYTE MIXTURE, ELECTROLYTIC CAPACITOR HAVING THE SAME AND OXIDANT MIXTURE FOR CONJUGATED POLYMER SYNTHESIS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-01-30 US disclosed