SCHEMBL13286608

SCHEMBL13286608

CCCCCC/C=C\CCCCCCCCCC(=O)NC1C(OC)OC(COC)C(OP(=O)(O)O)C1OCCC(CCCCCCC)OC

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 20/20 0.76
▸ LY96 Q9Y6Y9 1/20 0.47

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
SCHEMBL13302898 1.00 TLR4 (0.76) TLR4LY96
SCHEMBL12836667 1.00 TLR4 (0.76) TLR4LY96
SCHEMBL13233352 0.95 TLR4 (0.78) TLR4LY96
SCHEMBL13325121 0.91 TLR4 (0.65) TLR4LY96
SCHEMBL12836291 0.91 TLR4 (0.65) TLR4LY96
SCHEMBL13803955 0.91 TLR4 (0.65) TLR4LY96
SCHEMBL12601161 0.91 TLR4 (0.65) TLR4LY96
SCHEMBL10042134 0.90 TLR4 (0.63) TLR4LY96
SCHEMBL10042131 0.89 TLR4 (0.61) TLR4LY96
SCHEMBL14136535 0.88 TLR4 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727974-B2 Methods of reducing the severity of mucositis EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-06-01 — — US disclosed
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