SCHEMBL16948831

SCHEMBL16948831

O=C1CC(C(F)(F)F)c2c(C3CCN(c4cnc(C(F)(F)F)cn4)CC3)n[nH]c2N1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 20/20 0.56

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
SCHEMBL16948816 0.86 LCAT (0.56) LCAT
SCHEMBL16948785 0.85 LCAT (0.51) LCAT
SCHEMBL18138636 0.82 LCAT (0.75) LCAT
SCHEMBL18138623 0.82 LCAT (0.75) LCAT
SCHEMBL18138617 0.82 LCAT (0.75) LCAT
SCHEMBL18138620 0.82 LCAT (0.75) LCAT
SCHEMBL18138635 0.82 LCAT (0.75) LCAT
SCHEMBL16948620 0.79 LCAT (0.56) LCAT
SCHEMBL18156594 0.78 LCAT (0.63) LCAT
SCHEMBL16648900 0.77 LCAT (0.71) LCAT

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-2015111545-A1 CONDENSED PYRAZOLE DERIVATIVE 第一三共株式会社 2015-07-30 — — WO disclosed
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