SCHEMBL25065569

SCHEMBL25065569

CCCCCCCCCCC[C@H](CC(=O)NCC1C(NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H](OP(=O)(O)O)C(CO)O[C@H]1OC[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)OC)OC(=O)CCCCCCCCC

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.69
▸ LY96 Q9Y6Y9 2/20 0.46

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
SCHEMBL25065629 1.00 TLR4 (0.69) TLR4LY96
SCHEMBL22922967 0.92 TLR4 (0.76) TLR4LY96
SCHEMBL29224847 0.92 TLR4 (0.76) TLR4LY96
SCHEMBL21256938 0.92 TLR4 (0.76) TLR4LY96
SCHEMBL7125999 0.88 TLR4 (0.88) TLR4LY96
SCHEMBL22922962 0.85 TLR4 (0.86) TLR4LY96
SCHEMBL22922963 0.85 TLR4 (0.86) TLR4LY96
SCHEMBL3938421 0.85 TLR4 (0.83) TLR4LY96
SCHEMBL25065631 0.84 TLR4 (0.84) TLR4LY96
SCHEMBL23252094 0.81 TLR4 (1.00) TLR4LY96

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-20230055805-A1 TOLL-LIKE RECEPTOR LIGANDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-02-23 — — US 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-20230055805-A1 TOLL-LIKE RECEPTOR LIGANDS TLR1, TLR4, TLR6 TLR4 2/4885LY96 10/4885

“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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