SCHEMBL5348404

SCHEMBL5348404

CCO[Ti](OCC)(OCC)OC(C)(C)C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL5838949 0.74 ADRB2 (0.35)
SCHEMBL104001 0.73 ALDH1A1 (0.36)
SCHEMBL35278 0.73
SCHEMBL23781332 0.70 ALDH1A1 (0.33)
SCHEMBL29924664 0.70
SCHEMBL5838846 0.69 ADRB2 (0.35)
SCHEMBL1993920 0.65
SCHEMBL1989915 0.65
SCHEMBL1989378 0.65
SCHEMBL1986380 0.63 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014105758-A2 STABILIZED POLYMER COMPOSITION CONTAINING AN IMPACT MODIFIER TICONA LLC (US) 2014-07-03 WO disclosed
US-20140179841-A1 Stabilized Polymer Composition Containing an Impact Modifier TICONA LLC (US) 2014-06-26 US disclosed
US-7169887-B2 Thermoplastic molding material and moulded bodies produced therefrom TICONA GMBH (DE) 2007-01-30 US disclosed
US-20060204739-A1 Pultrusion method and an article produced by said method TICONA GMBH (DE) 2006-09-14 US disclosed
US-20050119396-A1 Thermoplastic molding material and moulded bodies produced therefrom TICONA GMBH (DE) 2005-06-02 US disclosed
US-20050107513-A1 Polyoxymethylene molding compound and molded body produced therefrom TICONA GMBH (DE) 2005-05-19 US disclosed