SCHEMBL4577447

SCHEMBL4577447

CC1=C(/[Zr](=C(\C)c2ccccc2)c2cccc3c2Cc2ccccc2-3)C(C)C=C1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
Hydrochloric Acid SCHEMBL675346 0.78 NPC1 (0.36) NPC1RAB9A
SCHEMBL4577667 0.76 NPC1 (0.36) NPC1RAB9A
SCHEMBL4577814 0.74 NPC1 (0.34) NPC1RAB9A
Hydrochloric Acid SCHEMBL675504 0.72 NPC1 (0.36) NPC1RAB9A
Hydrochloric Acid SCHEMBL673806 0.72 NPC1 (0.36) NPC1RAB9A
Hydrochloric Acid SCHEMBL3014182 0.72 NPC1 (0.32) NPC1RAB9A
Hydrochloric Acid SCHEMBL675257 0.71 NPC1 (0.36) NPC1RAB9A
SCHEMBL8065202 0.71 NPC1 (0.41) NPC1RAB9A
SCHEMBL3477345 0.71 NPC1 (0.34) NPC1RAB9A
Hydrochloric Acid SCHEMBL139575 0.71 NPC1 (0.31) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900744-A1 TRANSITION METAL COMPOUND, OLEFIN POLYMERIZATION CATALYST, AND PROCESS FOR PRODUCING OLEFIN POLYMER Mitsui Chemicals, Inc. (JP) 2008-03-19 EP disclosed