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Sugi Predict / Compounds / SCHEMBL9521897

SCHEMBL9521897

SCHEMBL9521897

CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OCCOP(c2ccccc2)c2ccccc2)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.47
▸ SELP P16109 1/20 0.43

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
SCHEMBL9518934 0.96 TLR4 (0.49) TLR4SELP
SCHEMBL6800991 0.85 TLR4 (0.57) TLR4SELP
SCHEMBL6807622 0.85 TLR4 (0.57) TLR4SELP
SCHEMBL6795483 0.85 TLR4 (0.57) TLR4SELP
SCHEMBL6807623 0.85 TLR4 (0.57) TLR4SELP
SCHEMBL9519958 0.84 TLR4 (0.49) TLR4SELP
SCHEMBL9519596 0.83 TLR4 (0.50) TLR4
SCHEMBL10613216 0.83 TLR4 (0.60) TLR4SELP
SCHEMBL9518889 0.83 TLR4 (0.50) TLR4
SCHEMBL9019095 0.83 TLR4 (0.55) TLR4SELP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330715-B1 DISACCHARIDE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 — — EP disclosed
EP-0330715-A1 Disaccharide derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-09-06 — — EP disclosed
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