SCHEMBL7109970

SCHEMBL7109970

C=[Ti](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)C1C=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.34
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL7934512 0.85 PNMT (0.37) PNMTNPC1RAB9A
SCHEMBL8160974 0.82 PNMT (0.32) PNMTNPC1RAB9A
SCHEMBL715120 0.82 PNMT (0.32) PNMTNPC1RAB9A
SCHEMBL396460 0.82 PNMT (0.32) PNMTNPC1RAB9A
SCHEMBL713787 0.82 NPC1 (0.36) PNMTNPC1RAB9A
SCHEMBL7933584 0.81 PNMT (0.34) PNMT
SCHEMBL8382421 0.81 PNMT (0.31) PNMT
SCHEMBL8379260 0.81 PNMT (0.31) PNMTNPC1RAB9A
SCHEMBL7109339 0.81 PNMT (0.37) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL396461 0.80 PNMT (0.36) PNMTNPC1RAB9A

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-0908435-B1 Method for purifying transition metal compounds SUMITOMO CHEMICAL CO (JP) 2003-10-01 EP disclosed
US-6107502-A Method for purifying transition metal compound and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-08-22 US disclosed
EP-0908435-A1 Method for purifying transition metal compound and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-14 EP disclosed