SCHEMBL7542235

SCHEMBL7542235

CC(C)P(c1ccccc1)c1ccccc1.[Ni]P(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 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
SCHEMBL301134 0.88 TDP1 (0.45) TDP1CYP3A4ESR1ESR2
Bromide SCHEMBL28443974 0.85 TDP1 (0.43) TDP1CYP3A4ESR1ESR2
Bromide SCHEMBL29193727 0.85 TDP1 (0.43) TDP1CYP3A4ESR1ESR2
SCHEMBL4326950 0.85 TDP1 (0.43) TDP1CYP3A4ESR1ESR2
Iodide SCHEMBL1478204 0.85 TDP1 (0.43) TDP1CYP3A4ESR1ESR2
Bromide SCHEMBL1582391 0.83 TDP1 (0.41) TDP1CYP3A4ESR1ESR2
Hydrochloric Acid SCHEMBL1582634 0.83 TDP1 (0.41) TDP1CYP3A4ESR1ESR2
SCHEMBL27590657 0.80 TDP1 (0.53) TDP1CYP3A4ESR1ESR2
SCHEMBL17414853 0.77 TDP1 (0.36) TDP1CYP3A4ESR1ESR2
Hydrochloric Acid SCHEMBL5659847 0.76 CYP3A4 (0.40) TDP1CYP3A4ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8231536-A None JP disclosed
EP-1203773-A1 Process for the preparation of alkenylphosphonic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2002-05-08 EP disclosed
EP-1140847-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-10-10 EP disclosed
WO-2000042015-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed
EP-0665232-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 1999-12-15 EP disclosed
EP-0920415-A1 SUBSTITUTED 2-PHENYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1999-06-09 EP disclosed
WO-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
WO-1998007700-A1 SUBSTITUTED 2-PHENYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
JP-H08231536-A OLIGOTHIOPHENE COMPOUND AND OLIGOTHIOPHENE POLYMER AND THEIR PRODUCTION MATSUSHITA ELECTRIC IND CO LTD 1996-09-10 JP disclosed