SCHEMBL6135096

SCHEMBL6135096

CC(C)(O)C(CN)CCO

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL23104697 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5931169 0.77 DPP4 (0.42) DPP4
Ammonia Solution, Strong SCHEMBL20450561 0.75 DPP4 (0.40) DPP4
SCHEMBL31362699 0.74 DPP4 (0.43) DPP4ALDH1A1
SCHEMBL6485644 0.74
SCHEMBL2935515 0.70 DPP4 (0.46) DPP4
SCHEMBL6330069 0.70 DPP4 (0.36) DPP4ALDH1A1
SCHEMBL18843019 0.69 DPP4 (0.50) DPP4
SCHEMBL1371179 0.69
SCHEMBL6140915 0.68 DPP4 (0.39) DPP4

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
EP-1423448-A4 POLYMERIC URETHANE ESTER QUATS AND THEIR USE IN PERSONAL CARE COMPOSITIONS ALZO INT INC (US) 2005-06-29 EP disclosed
EP-1423448-A2 POLYMERIC URETHANE ESTER QUATS AND THEIR USE IN PERSONAL CARE COMPOSITIONS Alzo International, Inc. (US) 2004-06-02 EP disclosed
WO-2003016247-A2 POLYMERIC URETHANE ESTER QUATS AND THEIR USE IN PERSONAL CARE COMPOSITIONS ALZO INTERNATIONAL, INC. (US) 2003-02-27 WO disclosed