SCHEMBL21044585

SCHEMBL21044585

CC1=C(C(=O)O)NC(C(=O)O)=CC1(C)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 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
SCHEMBL21044400 0.77 NOTUM (0.31) NOTUM
SCHEMBL18305807 0.75 NOTUM (0.31) NOTUM
SCHEMBL4574657 0.74 ALDH1A1 (0.31) —
SCHEMBL21044222 0.72 — —
SCHEMBL21044383 0.72 — —
SCHEMBL21044457 0.72 CCR2 (0.40) NOTUM
SCHEMBL21044538 0.71 — —
SCHEMBL21044223 0.71 — —
SCHEMBL21044524 0.71 — —
SCHEMBL21044377 0.71 — —

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
EP-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 — — EP claimed
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