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SCHEMBL597451

SCHEMBL597451

CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCCCC)(O[C@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 8/20 0.42
▸ LY96 Q9Y6Y9 5/20 0.37
▸ PRKCA P17252 4/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35

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
SCHEMBL30277904 1.00 TLR4 (0.42) TLR4LY96PRKCAMAPTCA12
SCHEMBL21531505 1.00 TLR4 (0.42) TLR4LY96PRKCAMAPTCA12
SCHEMBL30277900 1.00 TLR4 (0.42) TLR4LY96PRKCAMAPTCA12
SCHEMBL358376 0.95 TLR4 (0.44) TLR4LY96PRKCA
SCHEMBL10447319 0.95 TLR4 (0.44) TLR4LY96PRKCA
SCHEMBL29902495 0.95 TLR4 (0.43) TLR4PRKCA
SCHEMBL3901023 0.92 TLR4 (0.42) TLR4LY96PRKCA
SCHEMBL21091601 0.91 PRKCA (0.37) TLR4LY96PRKCAMAPTCA12
SCHEMBL19138246 0.90 TLR4 (0.46) TLR4LY96PRKCA
SCHEMBL15293418 0.90 TLR4 (0.43) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090272391-A1 ADSORBENTS FOR SMOKING ARTICLES COMPRISING A NON-VOLATILE ORGANIC COMPOUND APPLIED USING A SUPERCRITICAL FLUID THOMAS CHARLES 2009-11-05 — — US claimed
WO-2004010802-A1 ADSORBENTS FOR SMOKING ARTICLES COMPRISING A NON-VOLATILE ORGANIC COMPOUND APPLIED USING A SUPERCRITICAL FLUID PHILIP MORRIS PRODUCTS S.A. (CH) 2004-02-05 — — WO claimed
US-20040016436-A1 Adsorbents for smoking articles comprising a non-volatile organic compound applied using a supercritical fluid PHILIP MORRIS USA INC. 2004-01-29 — — US claimed
US-8114475-B2 Adsorbents for smoking articles comprising a non-volatile organic compound applied using a supercritical fluid PHILIP MORRIS USA INC. (US) 2012-02-14 — — US disclosed
US-20090272391-A1 ADSORBENTS FOR SMOKING ARTICLES COMPRISING A NON-VOLATILE ORGANIC COMPOUND APPLIED USING A SUPERCRITICAL FLUID THOMAS CHARLES 2009-11-05 — — US disclosed
WO-2004010802-A1 ADSORBENTS FOR SMOKING ARTICLES COMPRISING A NON-VOLATILE ORGANIC COMPOUND APPLIED USING A SUPERCRITICAL FLUID PHILIP MORRIS PRODUCTS S.A. (CH) 2004-02-05 — — WO disclosed
US-20040016436-A1 Adsorbents for smoking articles comprising a non-volatile organic compound applied using a supercritical fluid PHILIP MORRIS USA INC. 2004-01-29 — — US disclosed