SCHEMBL7785631

SCHEMBL7785631

CC(C)(C)CO[Ti](OCC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 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
SCHEMBL7962260 0.78
SCHEMBL7701064 0.69 CYP2C19 (0.31) CYP2C19
SCHEMBL18191 0.65 CYP2C19 (0.42) CYP2C19
SCHEMBL8029850 0.65 CYP2C19 (0.42) CYP2C19
SCHEMBL31347654 0.64 CYP2C19 (0.36) CYP2C19
SCHEMBL15277616 0.62 CYP2C19 (0.35) CYP2C19
Hydrochloric Acid SCHEMBL8858515 0.62 CYP2C19 (0.40) CYP2C19
SCHEMBL90415 0.62
SCHEMBL7672181 0.59
Ethylene SCHEMBL4765785 0.59 CYP2C19 (0.38) CYP2C19

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-20010050028-A1 Novel organic titanium compound suitable for MOCVD MITSUBISHI MATERIALS CORPORATION (JP) 2001-12-13 US disclosed
EP-1144475-A2 LOW VOLATILE REINFORCING MATERIALS Aristech Acrylics LLC (US) 2001-10-17 EP disclosed
WO-2000044804-A2 LOW VOLATILE REINFORCING MATERIALS ARISTECH ACRYLICS LLC (US) 2000-08-03 WO disclosed