SCHEMBL6366117

SCHEMBL6366117

O=C=NCC1(CN=C=O)CC(F)C(F)C(F)C1F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6372260 0.72
SCHEMBL6372022 0.64 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL1985878 0.63
SCHEMBL7186791 0.62 ALDH1A1 (0.34) ALDH1A1CYP3A4
SCHEMBL122656 0.59 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL14000211 0.58 CYP2D6 (0.36) ALDH1A1CYP3A4
SCHEMBL4507437 0.57 GRIN2D (0.41) ALDH1A1CYP3A4
SCHEMBL22261614 0.56
SCHEMBL3718469 0.55 GAA (0.39) ALDH1A1CYP3A4
SCHEMBL1070335 0.55 ALDH1A1 (0.35) ALDH1A1CYP3A4

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-20050131192-A1 Polymer and process for producing polymer SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-16 US disclosed