SCHEMBL5689799

SCHEMBL5689799

CCN(CC)P(c1ccccc1OC)c1ccccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
AOC3 Q16853 1/20 0.36
NOS3 P29474 2/20 0.36

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
SCHEMBL14088330 0.91 CA1 (0.40) CA1CA2CA7CA9CA12
SCHEMBL889755 0.78 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL17529686 0.74 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL8932160 0.74 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL13839678 0.73 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL4900199 0.73 HTR7 (0.43) CA1CA2CA7CA9CA12
SCHEMBL29405044 0.72 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL50148 0.72 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL10414766 0.72 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL4898216 0.71 CA1 (0.52) CA1CA2CA7CA9CA12

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-1671976-B1 Process for the preparation of phosphorus-containing compounds and their intermediates STANFORD RES INST INT (US) 2014-12-03 EP disclosed
US-7067701-B2 Preparation of phosphorus-containing compounds useful in the preparation of biphosphine ligands SRI INTERNATIONAL (US) 2006-06-27 US disclosed
EP-1671976-A1 Process for the preparation of phosphorus-containing compounds and their intermediates Sri International (US) 2006-06-21 EP disclosed
EP-1102771-B1 PREPARATION OF ORGANOLITHIUM AND ORGANOPHOSPHORUS DERIVATIVES STANFORD RES INST INT (US) 2006-05-03 EP disclosed
US-20040147785-A1 Preparation of phosphorus-containing compounds useful in the preparation of biphosphine ligands VAN GINKEL ROELOF (NL) 2004-07-29 US disclosed
US-6720442-B2 REACTION LITHIUM PHOSPHINE COMPOUND WITH DIHALPHOSPHINE COMPOUND SRI INTERNATIONAL 2004-04-13 US disclosed
US-20030109754-A1 Preparation of phosphorus-containing compounds useful in the preparation of biphosphine ligands VAN GINKEL ROELOF (NL) 2003-06-12 US disclosed
US-6548708-B1 Reacting phosphineamine, oxyphosphine or thiophosphine with organic halide; forming polymerization catalyst complexes to make carbon monoxide-A-olefin copolymers SRI INTERNATIONAL 2003-04-15 US disclosed
EP-1102771-A2 PREPARATION OF ORGANOLITHIUM AND ORGANOPHOSPHORUS DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2001-05-30 EP disclosed
WO-2000008030-A2 PREPARATION OF ORGANOLITHIUM AND ORGANOPHOSPHORUS DERIVATIVES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2000-02-17 WO disclosed