SCHEMBL4823622

SCHEMBL4823622

CC(C)(C)OP(=O)(OC(C)(C)C)OP(=O)(O)OP(=O)(O)O.[Nd]

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BTN3A1 O00481 3/20 0.34

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
SCHEMBL571122 0.86 FDPS (0.45) FDPSBLMTDP1BTN3A1
SCHEMBL28697608 0.86 FDPS (0.33) FDPSBLMTDP1BTN3A1
SCHEMBL14688027 0.84 FDPS (0.43) FDPSBLMTDP1
SCHEMBL12234256 0.82 FDPS (0.41) FDPSBLMTDP1BTN3A1
SCHEMBL2871051 0.81 FDPS (0.45) FDPSBLMTDP1BTN3A1
Hydrochloric Acid SCHEMBL28697610 0.80 FDPS (0.39) FDPSBLMTDP1BTN3A1
Triphosphate SCHEMBL28345672 0.75 FDPS (0.56) FDPSBLMTDP1BTN3A1
SCHEMBL2871050 0.75
Triphosphate SCHEMBL4832738 0.75 FDPS (0.64) FDPSBLMTDP1BTN3A1
Triphosphate SCHEMBL7077065 0.75 FDPS (0.64) FDPSBLMTDP1BTN3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396889-B2 Method for preparing a diene elastomer MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2008-07-08 US disclosed
US-20070255029-A1 Method for preparing a diene elastomer MICHELIN RECHERCHE ET TECHNIQUE S.A. 2007-11-01 US disclosed