SCHEMBL25414050

SCHEMBL25414050

C=CCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H]1NC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 14/20 0.40

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
SCHEMBL25413291 0.88 TLR4 (0.41) TLR4
SCHEMBL9786196 0.87 TLR4 (0.33) TLR4
SCHEMBL3930937 0.86 TLR4 (0.37) TLR4
SCHEMBL3932732 0.86 TLR4 (0.37) TLR4
SCHEMBL3927917 0.86 TLR4 (0.37) TLR4
SCHEMBL5832437 0.86 TLR4 (0.37) TLR4
SCHEMBL3938061 0.86 TLR4 (0.37) TLR4
SCHEMBL3932670 0.86 TLR4 (0.37) TLR4
SCHEMBL3939366 0.86 TLR4 (0.38) TLR4
SCHEMBL3938394 0.86 TLR4 (0.35) TLR4

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
US-20240002425-A1 NOVEL AMINOALKYL GLUCOSAMINIDE 4-PHOSPHATE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-01-04 — — US disclosed
EP-4245763-A1 NOVEL AMINOALKYL GLUCOSAMINIDE 4-PHOSPHATE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2023-09-20 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240002425-A1 NOVEL AMINOALKYL GLUCOSAMINIDE 4-PHOSPHATE DERIVATIVE TLR4, TLR5, TLR9 TLR4 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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