SCHEMBL8380500

SCHEMBL8380500

C[Ti](C)(=C(c1ccccc1)c1ccccc1)(c1cccc2c1Cc1ccccc1-2)C1C=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8381105 0.88 NPC1 (0.37) PNMTNPC1RAB9A
SCHEMBL8379260 0.85 PNMT (0.31) PNMTNPC1RAB9A
Methyl Alcohol SCHEMBL7032622 0.81 PNMT (0.35) PNMTNPC1RAB9A
SCHEMBL7934512 0.81 PNMT (0.37) PNMTNPC1RAB9A
SCHEMBL7109339 0.81 PNMT (0.37) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL396461 0.80 PNMT (0.36) PNMTNPC1RAB9A
SCHEMBL7924389 0.79 PNMT (0.35) PNMTNPC1RAB9A
SCHEMBL7924372 0.79 PNMT (0.35) PNMTNPC1RAB9A
SCHEMBL8373282 0.79 PNMT (0.35) PNMTNPC1RAB9A
SCHEMBL8380793 0.78 PNMT (0.33) 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
US-5916982-A Process for the production of polyolefins NIPPON OIL CO., LTD. (JP) 1999-06-29 US disclosed
EP-0768320-A1 Catalyst component and catalyst NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed
EP-0768319-A1 Process for the production of polyolefins NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed