SCHEMBL9634618

SCHEMBL9634618

[NaH].c1ccc(P(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 2/20 0.33
SLC18A3 Q16572 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 4/20 0.32
GAA P10253 1/20 0.32
EPHX2 P34913 3/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP19A1 P11511 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
SCHEMBL301161 0.98 ROCK2 (0.44) ROCK2CYP3A4TDP1IDO1SLC18A3
SCHEMBL54719 0.98 ROCK2 (0.44) ROCK2CYP3A4TDP1IDO1SLC18A3
SCHEMBL301129 0.98 ROCK2 (0.44) ROCK2CYP3A4TDP1IDO1SLC18A3
Phosphine SCHEMBL28231488 0.95 ROCK2 (0.43) ROCK2CYP3A4TDP1IDO1SLC18A3
SCHEMBL30727801 0.95 ROCK2 (0.43) ROCK2CYP3A4TDP1IDO1SLC18A3
SCHEMBL28530861 0.95 ROCK2 (0.43) ROCK2CYP3A4TDP1IDO1SLC18A3
SCHEMBL27521454 0.95 ROCK2 (0.43) ROCK2CYP3A4TDP1IDO1SLC18A3
SCHEMBL9516193 0.95 ROCK2 (0.43) ROCK2CYP3A4TDP1IDO1SLC18A3
Bromide SCHEMBL8849424 0.95 ROCK2 (0.43) ROCK2CYP3A4TDP1IDO1SLC18A3
SCHEMBL2271458 0.95 ROCK2 (0.43) ROCK2CYP3A4TDP1IDO1SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101443302-B Hydroformylation process with improved rhodium recovery and product separation DOW GLOBAL TECHNOLOGIES INC 2013-04-10 CN disclosed
CN-101778812-A Extraction process for aldehyde product separation and catalyst recovery DOW GLOBAL TECHNOLOGIES INC 2010-07-14 CN disclosed
CN-101443302-A Hydroformylation process with improved rhodium recovery and product separation DOW GLOBAL TECHNOLOGIES INC (US) 2009-05-27 CN disclosed
CN-1017145-B Hydroformylation with low volatile phosphine ligands UNION CARBIDE CORP (US) 1992-06-24 CN disclosed
EP-0268268-B1 HYDROFORMYLATION USING LOW VOLATILE PHOSPHINE LIGANDS UNION CARBIDE CORPORATION (US) 1992-06-10 EP disclosed
CN-87101178-A Carry out hydroformylation with low volatile phosphine ligands 1988-07-06 CN disclosed
EP-0268268-A2 Hydroformylation using low volatile phosphine ligands UNION CARBIDE CORPORATION (US) 1988-05-25 EP disclosed
US-4731486-A Hydroformylation using low volatile phosphine ligands UNION CARBIDE CORPORATION (US) 1988-03-15 US disclosed