SCHEMBL7107742

SCHEMBL7107742

O=S(=O)(Oc1ccc2c(c1-c1c(P(c3ccccc3)c3ccccc3)ccc3c1CCCC3)CCCC2)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.36
DRD3 P35462 4/20 0.34
HTR1D P28221 2/20 0.34
CES1 P23141 3/20 0.32
DRD1 P21728 2/20 0.31
DRD4 P21917 2/20 0.31
DRD5 P21918 2/20 0.31
METAP2 P50579 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
SCHEMBL7030007 0.85 DRD2 (0.41) DRD2DRD3HTR1DCES1
SCHEMBL29424782 0.80 DRD1 (0.39) CES1DRD1METAP2
SCHEMBL29924184 0.80 DRD1 (0.39) CES1DRD1METAP2
SCHEMBL665033 0.80 DRD1 (0.39) CES1DRD1METAP2
SCHEMBL9192628 0.78 DRD1 (0.38) CES1DRD1METAP2
Iodide SCHEMBL9231383 0.78 DRD1 (0.38) CES1DRD1METAP2
Iodide SCHEMBL9231386 0.78 DRD1 (0.38) CES1DRD1METAP2
SCHEMBL9007737 0.77 DRD2 (0.48) DRD2DRD3HTR1DCES1DRD1
SCHEMBL14356045 0.77 DRD1 (0.39) CES1DRD1METAP2
SCHEMBL7027415 0.76 DRD2 (0.37) DRD2DRD3HTR1DCES1DRD1

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-0839819-B1 Method of preparing optically active diphosphine ligands TAKASAGO PERFUMERY CO LTD (JP) 2003-09-17 EP disclosed
US-5922918-A Method for making an optically active diphosphine ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-07-13 US disclosed
EP-0839819-A1 Method of preparing optically active diphosphine ligands Takasago International Corporation (JP) 1998-05-06 EP disclosed