SCHEMBL31353005

SCHEMBL31353005

CCCCCCCCCC(=O)OC[C@H]1OC(O)[C@H](NC(=O)CCC)[C@@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 8/20 0.44
▸ PYGB P11216 1/20 0.40
▸ LY96 Q9Y6Y9 6/20 0.40
▸ DGKA P23743 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38

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
SCHEMBL21137910 1.00 TLR4 (0.44) TLR4PYGBLY96DGKAMAPK1
SCHEMBL21058358 0.93 TLR4 (0.42) TLR4PYGBLY96
SCHEMBL21138039 0.91 PYGB (0.45) TLR4PYGBMAPK1
SCHEMBL21137953 0.91 PYGB (0.45) TLR4PYGBMAPK1
SCHEMBL21138769 0.91 TLR4 (0.49) TLR4
SCHEMBL21137917 0.89 PYGB (0.40) TLR4PYGBLY96MAPK1
SCHEMBL21137960 0.89 PYGB (0.40) TLR4PYGB
SCHEMBL4991663 0.89 MAPK1 (0.50) TLR4DGKAMAPK1
SCHEMBL14010283 0.89 MAPK1 (0.50) TLR4DGKAMAPK1
SCHEMBL4994069 0.89 MAPK1 (0.50) TLR4DGKAMAPK1

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-2025000280-A1 COMPOUND FOR PREVENTING OR TREATING CANINE BONE OR JOINT DISEASES, COMPOSITION, AND USE 润佳(苏州)医药科技有限公司 2025-01-02 — — WO disclosed
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