SCHEMBL29953836

SCHEMBL29953836

CC(C)n1cccc1B(O)O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.32

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
SCHEMBL27596357 0.70 — —
SCHEMBL317152 0.70 — —
SCHEMBL29954037 0.69 — —
SCHEMBL12394855 0.67 — —
SCHEMBL840559 0.65 PTGS2 (0.34) PTGS2
SCHEMBL26133988 0.65 — —
SCHEMBL28274101 0.65 — —
SCHEMBL9453847 0.64 PTGS2 (0.41) PTGS2
SCHEMBL26723975 0.64 CYP1A2 (0.37) PTGS2
SCHEMBL29952669 0.63 ENPP2 (0.35) —

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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