SCHEMBL6931998

SCHEMBL6931998

CO[C@@H](C(=O)O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ACHE P22303 1/20 0.32
TP53 P04637 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
SCHEMBL9196637 1.00 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1ACHETP53
SCHEMBL6932001 1.00 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1ACHETP53
SCHEMBL14530119 0.80 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1
SCHEMBL21916633 0.79 ALDH1A1 (0.32) ACHE
SCHEMBL724845 0.78 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1TP53
SCHEMBL21881710 0.77 ACHE (0.31) ACHE
SCHEMBL9162000 0.77 ACHE (0.31) ACHE
SCHEMBL8600469 0.77 ACHE (0.45) ACHE
SCHEMBL6289513 0.77 ACHE (0.31) SLC1A3SLC1A2SLC1A1ACHE
SCHEMBL637417 0.76 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771812-B1 Method for producing an optically active diphosphine TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-5693868-A REACTING 2,2'-BIS(TRIFLUOROMETHANESULFONYLOXY)-1,1-BINAPHTHYL WITH A PHOSPHINE OXIDE IN THE PRESENCE OF A TRANSITION METAL-PHOSPHINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-12-02 US disclosed
EP-0771812-A1 Method for producing an optically active diphosphine Takasago International Corporation (JP) 1997-05-07 EP disclosed