SCHEMBL6649846

SCHEMBL6649846

COCOC[C@@H](OS(C)(=O)=O)[C@@H](COCOC)OS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2057972 0.72 ALDH1A1 (0.43) ALDH1A1USP2TSHR
SCHEMBL13316584 0.68 KDM4E (0.31) ALDH1A1USP2TSHR
SCHEMBL5873338 0.67 USP2 (0.45) ALDH1A1USP2TSHR
SCHEMBL1205704 0.67 USP2 (0.45) ALDH1A1USP2TSHR
SCHEMBL10689073 0.66 TSHR (0.47) TSHR
SCHEMBL6654165 0.66 TSHR (0.47) TSHR
SCHEMBL14778666 0.66 ALDH1A1 (0.48) ALDH1A1USP2TSHR
SCHEMBL3585566 0.65 ALDH1A1 (0.48) ALDH1A1USP2TSHR
SCHEMBL711729 0.65 ALDH1A1 (0.48) ALDH1A1USP2TSHR
SCHEMBL3586435 0.65 ALDH1A1 (0.48) ALDH1A1USP2TSHR

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
EP-0741731-B1 PROCESS FOR EPOXIDISING PROCHIRAL OLEFINS SMITHKLINE BEECHAM PLC (GB) 2004-04-07 EP disclosed
US-6211107-B1 Process for expoxidizing prochiral olefins and a catalyst therefor and intermediates for making the catalyst SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-03 US disclosed
US-5916975-A Process for epoxidising prochiral olefins and a catalyst therefor and intermediates for making the catalyst SMITHKLINE BEECHAM P.L.C. (GB) 1999-06-29 US disclosed
EP-0655950-B1 CHIRAL CATALYSTS AND EPOXIDATION REACTIONS CATALYZED THEREBY SMITHKLINE BEECHAM PLC (GB) 1996-10-23 EP disclosed