SCHEMBL4624875

SCHEMBL4624875

CC(C)(C)/C(N)=C(\N)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
NOS1 P29475 1/20 0.32
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL6035320 1.00 ALDH1A1 (0.36) ALDH1A1NOS1CYP3A4MAPTCYP2D6
SCHEMBL11163185 0.79
SCHEMBL5940388 0.79
SCHEMBL21737136 0.76
SCHEMBL21737132 0.76
Pivalamide SCHEMBL2484 0.67
SCHEMBL1026012 0.67
SCHEMBL7722051 0.67
SCHEMBL803572 0.67
Pivalamide SCHEMBL2466610 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1394168-B1 Process for the preparation of phosphites and complexes with transition metals SALTIGO GMBH (DE) 2008-05-21 EP disclosed
US-6992201-B2 Process for preparing phosphites and transition metal complexes BAYER AKTIENGESELLSCHAFT (DE) 2006-01-31 US disclosed
US-6921487-B2 Removal of zinc salts from nonaqueous synthesis solutions comprising zinc alkoxides or zinc amides Consortium für elektrochemische Industrie GmbH & Co. KG (DE) 2005-07-26 US disclosed
EP-1405839-B1 Process for separating zinc salts from zinc alcoholates or zinc amides containing non-aqueous synthesis solvents CONSORTIUM ELEKTROCHEM IND (DE) 2005-03-30 EP disclosed
US-20040116726-A1 Process for preparing phosphites and transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2004-06-17 US disclosed
US-20040089613-A1 Removal of zinc salts from nonaqueous synthesis solutions comprising zinc alkoxides or zinc amides CONSORTIUM FUR ELECKTROCHEMISCHE INDUSTRIE GMBH & CO. KG 2004-05-13 US disclosed
EP-1405839-A1 Process for separating zinc salts from zinc alcoholates or zinc amides containing non-aqueous synthesis solvents Consortium für elektrochemische Industrie GmbH (DE) 2004-04-07 EP disclosed
EP-1394168-A1 Process for the preparation of phosphites and complexes with transition metals Bayer Chemicals AG (DE) 2004-03-03 EP disclosed