SCHEMBL3784895

SCHEMBL3784895

NCCC(CN)C(=O)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
SCHEMBL21315600 1.00
SCHEMBL4892262 0.97 GABRR1 (0.48)
SCHEMBL1371975 0.88 GABRR1 (0.55)
SCHEMBL9817605 0.84 CPB2 (0.68)
Hydrochloric Acid SCHEMBL27582376 0.83 GABRR1 (0.50)
SCHEMBL25301987 0.82 CPB2 (0.67)
SCHEMBL902752 0.82
SCHEMBL5378198 0.81
SCHEMBL27739813 0.81
SCHEMBL8800224 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072985-B Ethoxylated pentaerythritol core hyperbranched polymer with dithio-carboxylate as side group and end group and application of ethoxylated pentaerythritol core hyperbranched polymer in heavy metal chelation 同济大学 2021-09-21 CN claimed
CN-111100052-B Ethoxylated trimethylolpropane core hyperbranched polymer with dithio carboxylate as side group and end group and application of ethoxylated trimethylolpropane core hyperbranched polymer to chelated metal 同济大学 2021-01-12 CN claimed
CN-111100052-A Ethoxylated trimethylolpropane core hyperbranched polymer with dithio carboxylate as side group and end group and application of ethoxylated trimethylolpropane core hyperbranched polymer to chelated metal 同济大学 2020-05-05 CN claimed
CN-111072985-A Ethoxylated pentaerythritol core hyperbranched polymer with dithio-carboxylate as side group and end group and application of ethoxylated pentaerythritol core hyperbranched polymer in heavy metal chelation 同济大学 2020-04-28 CN claimed
US-20070203289-A1 Aqueous polyurethane dispersions obtained by the use of caesium salts BASF AKTIENGESELLSCHAFT (DE) 2007-08-30 US claimed
US-20050043467-A1 Aqueous polyurethane dispersions obtained by the use of caesium salts BASF AKTIENGESELLSCHAFT (DE) 2005-02-24 US claimed
EP-4337706-A1 ADHESIVES Covestro Deutschland AG (DE) 2024-03-20 EP disclosed
WO-2023174985-A1 RE-DISPERSIBLE OR RE-SOLUBLE AQUEOUS ETHYLENICALLY UNSATURATED AQUEOUS POLYURETHANE COMPOSITIONS WITH IMPROVED WATER-RESISTANCE BASF SE (DE) 2023-09-21 WO disclosed
WO-2022238279-A1 ADHESIVES COVESTRO DEUTSCHLAND AG (DE) 2022-11-17 WO disclosed
EP-3980502-A1 HEAT-SENSITIVE AQUEOUS POLYURETHANE DISPERSION AND METHOD FOR PREPARING THE SAME Dow Global Technologies LLC (US) 2022-04-13 EP disclosed
CN-111072985-B Ethoxylated pentaerythritol core hyperbranched polymer with dithio-carboxylate as side group and end group and application of ethoxylated pentaerythritol core hyperbranched polymer in heavy metal chelation 同济大学 2021-09-21 CN disclosed
CN-111100052-B Ethoxylated trimethylolpropane core hyperbranched polymer with dithio carboxylate as side group and end group and application of ethoxylated trimethylolpropane core hyperbranched polymer to chelated metal 同济大学 2021-01-12 CN disclosed
WO-2020243899-A1 HEAT-SENSITIVE AQUEOUS POLYURETHANE DISPERSION AND METHOD FOR PREPARING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2020-12-10 WO disclosed
US-5607482-A BLOCKED POLYISOCYANATE BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0703313-A1 Crosslinkers for textile printing binders BAYER AG (DE) 1996-03-27 EP disclosed
EP-0247457-B1 PROCESS FOR THE PREPARATION OF REAGENT LAYERS CONTAINING HYDROPHOBIC REAGENTS MILES INC. (US) 1993-04-07 EP disclosed
US-5057276-A Dissolving ionomeric polymer and reagent in solvent, adding water, and removing solvent MILES INC. (US) 1991-10-15 US disclosed
US-4840885-A DYE-RELEASING COMPOUNDS USED IN FORM OF PARTICLES OF IONICALLY-MODIFIED POLYMERS; ANTIFOGGING AGENTS; PHOTOTHERMOGRAPHY AGFA-GEVAERT AKTIENGESSELLSCHAFT (DE) 1989-06-20 US disclosed
US-4728542-A POLYURETHANES; WATER VAPOR PERMEABLE COATINGS BAYER AKTIENGESELLSCHAFT (DE) 1988-03-01 US disclosed
EP-0247457-A2 Process for the preparation of reagent layers containing hydrophobic reagents MILES INC. (US) 1987-12-02 EP disclosed