SCHEMBL7454264

SCHEMBL7454264

C[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@@H](O)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.34
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ RPS6KA3 P51812 1/20 0.31
▸ RPS6KA1 Q15418 1/20 0.31

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
SCHEMBL12858229 0.75 ELANE (0.31) —
SCHEMBL1149492 0.75 ELANE (0.31) —
SCHEMBL16327920 0.73 LGALS8 (0.39) CYP2D6
SCHEMBL5035250 0.72 — —
SCHEMBL6881576 0.70 — —
SCHEMBL16327913 0.70 F11 (0.37) CYP2D6
SCHEMBL1150265 0.70 ELANE (0.36) —
SCHEMBL12858082 0.70 ELANE (0.36) —
SCHEMBL22687791 0.69 CYP2C8 (0.48) —
SCHEMBL6158516 0.69 CYP2C8 (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6388059-B1 CONTACTING GLYCOSIDE HAVING ANOMERIC SULFOSIDE WITH COMPOUND HAVING FREE HYDROXYL IN PRESENCE OF ORGANIC ACID ANHYDRIDE AND ALKENE TO SCAVENGE SULFENYL ESTERS; INCREASED YIELD WITH REDUCED BY-PRODUCT FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY 2002-05-14 — — US disclosed
EP-1097163-A4 IMPROVED GLYCOSYLATION METHOD USING SULFOXIDE DONORS UNIV PRINCETON (US) 2002-03-06 — — EP disclosed
EP-1097163-A1 IMPROVED GLYCOSYLATION METHOD USING SULFOXIDE DONORS Princeton University (US) 2001-05-09 — — EP disclosed
WO-2000004035-A1 IMPROVED GLYCOSYLATION METHOD USING SULFOXIDE DONORS PRINCETON UNIVERSITY (US) 2000-01-27 — — WO disclosed
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