SCHEMBL20646289

SCHEMBL20646289

O=C(O)C1=Cc2cc(S(F)(F)(F)(F)F)cc(Br)c2O[C@@H]1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 1.00
▸ PTGS1 P23219 6/20 0.57

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
SCHEMBL29768587 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL20646329 0.85 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL20646330 0.85 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL16893618 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL16893617 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6094390 0.85 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL29528023 0.85 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL212858 0.85 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL1929986 0.83 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6091953 0.83 PTGS2 (0.71) PTGS2PTGS1

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-3428154-A1 4-SULFUR PENTAFLUORIDE PHENOL COMPOUND AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR SULFUR PENTAFLUORIDE SUBSTITUTED BENZOPYRAN COMPOUND Guangzhou Institutes Of Biomedicine And Health Chinese Academy Of Sciences (CN) 2019-01-16 — — EP disclosed
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