SCHEMBL4651365

SCHEMBL4651365

CC(=O)O[C@@H]([C@H](OC(C)=O)[C@@H](CO)OC(C)=O)[C@H](C=S)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL4650331 1.00 TDP1 (0.44) TDP1TSHRTRPV1
SCHEMBL4652382 1.00 TDP1 (0.44) TDP1TSHRTRPV1
SCHEMBL4650284 1.00 TDP1 (0.44) TDP1TSHRTRPV1
SCHEMBL4650236 1.00 TDP1 (0.44) TDP1TSHRTRPV1
SCHEMBL4650323 0.95 TDP1 (0.42) TDP1TSHRTRPV1
SCHEMBL11209290 0.95 TDP1 (0.42) TDP1TSHRTRPV1
SCHEMBL11210335 0.95 TDP1 (0.42) TDP1TSHRTRPV1
SCHEMBL11220951 0.95 TDP1 (0.42) TDP1TSHRTRPV1
SCHEMBL4650320 0.95 TDP1 (0.42) TDP1TSHRTRPV1
SCHEMBL17748350 0.84 TDP1 (0.46) TDP1TSHRTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771181-B1 PHOSPHOLE DERIVATIVES COMPLEXED WITH METALS, AND PHARMACEUTICAL USES THEREOF CENTRE NAT RECH SCIENT (FR) 2008-09-10 EP claimed
US-4645756-A ANTITUMOR, ANTICANCER AGENT SMITH KLINE BECKMAN CORPORATION (US) 1987-02-24 US claimed
EP-0404493-B1 Hot melt ink compositions XEROX CORP (US) 1994-08-17 EP disclosed
US-5122187-A Colorants, propellants, and liquid crystal binder; thermal ink jet printing XEROX CORPORATION (US) 1992-06-16 US disclosed
US-5006170-A Thermal ink jet printing, binders, propellants XEROX CORPORATION (US) 1991-04-09 US disclosed
EP-0404493-A2 Hot melt ink compositions XEROX CORPORATION (US) 1990-12-27 EP disclosed
EP-0198696-B1 PHOSPHINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1990-04-11 EP disclosed
US-4902675-A ANTITUMOR AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1990-02-20 US disclosed
US-4698422-A Triphos and tetraphos gold compounds and ligands SMITHKLINE BECKMAN CORPORATION (US) 1987-10-06 US disclosed
EP-0189306-A2 [alpha, omega-bis(diphenylphosphino)hydrocarbon]bis[(thiosugar)-gold]and bis[selenosugar)gold]derivatives SMITHKLINE BEECHAM CORPORATION (US) 1986-07-30 EP disclosed