SCHEMBL449265

SCHEMBL449265

C=C(C(=O)O)C(CC)N=C=O

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
SCHEMBL451419 0.85 CHRM1 (0.34)
SCHEMBL445703 0.82 CA2 (0.36)
SCHEMBL451988 0.79 MAPT (0.43)
SCHEMBL169398 0.79
SCHEMBL16412346 0.79
SCHEMBL8765556 0.77 GRIK1 (0.31)
Water SCHEMBL28103844 0.77 CA2 (0.31)
SCHEMBL9326075 0.77 BLM (0.37)
SCHEMBL4522950 0.76
SCHEMBL19600811 0.74

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3491037-B1 STABILISER FOR POLYOLEFIN-IN-POLYETHER POLYOL DISPERSIONS BASF SE (DE) 2020-10-28 EP claimed
US-5442091-A Nonionic surfactant containing unsaturated carbamate monomers; thickeners NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1995-08-15 US claimed
US-5412142-A Unsaturated oxyalkylene carbamates, thickeners NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1995-05-02 US claimed
EP-0632083-A1 Novel associative monomers and polymers National Starch and Chemical Investment Holding Corporation (US) 1995-01-04 EP claimed
US-5342554-A Vinyl-terminated polyesters and polycarbonates for flexibilizing and improving the toughness of compositions from unsaturated polyesters and fiber reinforced plastics made from them GENCORP INC. (US) 1994-08-30 US claimed
US-5294692-A Butylene oxide-ethylene oxide copolymers modified with isocyanatoalkyl acrylates for coatings, sizing, drilling fluid or detergents NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1994-03-15 US claimed
CN-103483236-B Prepare method and the intermediate of 5-biphenyl-4-yl-2-methylpentanoic acid derivatives 诺华股份有限公司 2016-09-28 CN disclosed
EP-2307190-B1 SILICONE-CONTAINING POLYMERIC MATERALS WITH HYDROLYZABLE GROUPS NOVARTIS AG (CH) 2015-03-18 EP disclosed
US-8883928-B2 Silicone-containing polymeric materials with hydrolyzable groups NOVARTIS AG (CH) 2014-11-11 US disclosed
US-20120065331-A1 SILICONE-CONTAINING POLYMERIC MATERIALS WITH HYDROLYZABLE GROUPS ALCON INC. (CH) 2012-03-15 US disclosed
US-8079703-B2 Silicone-containing polymeric materials with hydrolyzable groups NOVARTIS AG (CH) 2011-12-20 US disclosed
EP-2307190-A1 SILICONE-CONTAINING POLYMERIC MATERALS WITH HYDROLYZABLE GROUPS Novartis AG (CH) 2011-04-13 EP disclosed
WO-2010011493-A1 SILICONE-CONTAINING POLYMERIC MATERALS WITH HYDROLYZABLE GROUPS NOVARTIS AG (CH) 2010-01-28 WO disclosed
EP-0450628-B1 Saccharide-modified, watersoluble proteins BOEHRINGER MANNHEIM GMBH (DE) 1995-08-16 EP disclosed
US-5442091-A Nonionic surfactant containing unsaturated carbamate monomers; thickeners NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1995-08-15 US disclosed
US-5412142-A Unsaturated oxyalkylene carbamates, thickeners NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1995-05-02 US disclosed
EP-0632083-A1 Novel associative monomers and polymers National Starch and Chemical Investment Holding Corporation (US) 1995-01-04 EP disclosed
US-5294692-A Butylene oxide-ethylene oxide copolymers modified with isocyanatoalkyl acrylates for coatings, sizing, drilling fluid or detergents NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1994-03-15 US disclosed
EP-0450628-A1 Saccharide-modified, watersoluble proteins Roche Diagnostics GmbH (DE) 1991-10-09 EP disclosed
US-4552903-A Flexible polyurethane foams prepared from cotrimers of alkylene-bridged polyphenylene polyisocyanates THE DOW CHEMICAL COMPANY (US) 1985-11-12 US disclosed