SCHEMBL31021583

SCHEMBL31021583

O=C(O)c1c(O)c(F)c(C(=O)OF)c(F)c1O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.34
▸ GLRA3 O75311 1/20 0.32
▸ GLRB P48167 1/20 0.32
▸ DPP4 P27487 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
SCHEMBL31021572 0.79 ESR1 (0.37) ESR1
SCHEMBL31021567 0.76 GLRA3 (0.39) ESR1GLRA3GLRBDPP4
SCHEMBL16859576 0.76 MEN1 (0.33) —
SCHEMBL31021584 0.74 DPP4 (0.36) ESR1GLRA3GLRBDPP4
SCHEMBL28967581 0.73 — —
SCHEMBL31021596 0.71 ESR1 (0.39) ESR1
SCHEMBL30823688 0.71 DPP4 (0.37) GLRA3GLRBDPP4
SCHEMBL28334716 0.71 CES2 (0.39) ESR1
SCHEMBL28209911 0.71 DPP4 (0.37) ESR1GLRA3GLRBDPP4
SCHEMBL28020596 0.70 GLRA3 (0.35) GLRA3GLRBDPP4

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
CN-118459458-A Preparation method and application of trifluoro-phenylpyrimidine eutectic and co-amorphous 华东理工大学 2024-08-09 — — CN disclosed
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