SCHEMBL2881810

SCHEMBL2881810

Cc1ccc(P(Cl)Cl)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 4/20 0.38
CYP2A6 P11509 4/20 0.38
ALDH1A1 P00352 2/20 0.37
RAPGEF4 Q8WZA2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ACHE P22303 2/20 0.33
CYP3A4 P08684 2/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
TRPA1 O75762 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA2A P08913 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5448143 0.85 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL9329307 0.81 TDP1 (0.39) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL7531460 0.80 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL381504 0.79 TDP1 (0.46) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL31325517 0.77 TDP1 (0.44) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL10713130 0.77 TDP1 (0.44) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL17529908 0.77 TDP1 (0.44) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL9294360 0.77 TDP1 (0.44) TDP1TP53CYP1A2CYP2A6ALDH1A1
Bromide SCHEMBL11384376 0.77 TDP1 (0.44) TDP1TP53CYP1A2CYP2A6ALDH1A1
Hydrochloric Acid SCHEMBL11387157 0.75 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1354886-B1 Process for the preparation of tertiary phosphines SALTIGO GMBH (DE) 2009-08-26 EP claimed
US-7230136-B2 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2007-06-12 US claimed
US-20030229240-A1 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2003-12-11 US claimed
EP-1354886-A1 Process for the preparation of tertiary phosphines Bayer Aktiengesellschaft (DE) 2003-10-22 EP claimed
US-7847126-B2 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2010-12-07 US disclosed
EP-1354886-B1 Process for the preparation of tertiary phosphines SALTIGO GMBH (DE) 2009-08-26 EP disclosed
US-20070299273-A1 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2007-12-27 US disclosed
US-7230136-B2 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2007-06-12 US disclosed
US-20030229240-A1 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2003-12-11 US disclosed
EP-1354886-A1 Process for the preparation of tertiary phosphines Bayer Aktiengesellschaft (DE) 2003-10-22 EP disclosed
EP-0122587-B1 PROCESS FOR PREPARING ORGANIC CHLOROPHOSPHANES HOECHST AKTIENGESELLSCHAFT (DE) 1988-04-20 EP disclosed
US-4632995-A Process for the preparation of phenyl- and thienyl-chlorophosphane derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1986-12-30 US disclosed
EP-0122587-A2 Process for preparing organic chlorophosphanes HOECHST AKTIENGESELLSCHAFT (DE) 1984-10-24 EP disclosed