SCHEMBL6651978

SCHEMBL6651978

CCC(CC(O)[Zr](Cl)Cl)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR7 P34969 1/20 0.32
HTR2B P41595 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
SCHEMBL6649715 0.87 PNMT (0.36) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6650014 0.81 PNMT (0.34) PNMTNPC1RAB9A
SCHEMBL6651263 0.80 PNMT (0.33) PNMTNPC1RAB9A
SCHEMBL6651998 0.80 PNMT (0.36) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6653047 0.78 PNMT (0.32) PNMT
SCHEMBL6651138 0.78 PNMT (0.37) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL6651972 0.74 PNMT (0.40) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL6651980 0.74 PNMT (0.40) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7111117 0.70 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6649150 0.69 PNMT (0.30) PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534665-B1 Used for polymerization and copolymerization of olefins REPSOL QUIMICA S.A. (ES) 2003-03-18 US claimed
EP-1095944-B1 Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof REPSOL QUIMICA SA (ES) 2004-03-17 EP disclosed
US-6534665-B1 Used for polymerization and copolymerization of olefins REPSOL QUIMICA S.A. (ES) 2003-03-18 US disclosed
EP-1095944-A1 Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof REPSOL QUIMICA S.A. (ES) 2001-05-02 EP disclosed