⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1457382 | 0.72 | — | — | |
| SCHEMBL2066913 | 0.70 | — | — | |
| SCHEMBL5276473 | 0.70 | — | — | |
| SCHEMBL5276905 | 0.70 | — | — | |
| SCHEMBL5279693 | 0.70 | — | — | |
| SCHEMBL5278849 | 0.67 | — | — | |
| SCHEMBL1250411 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL1250229 | 0.66 | ERBB2 (0.47) | — | |
| SCHEMBL18005934 | 0.65 | NPC1 (0.42) | — | |
| SCHEMBL5286846 | 0.65 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11008416-B2 | Aqueous, curable composition, comprising dispersed uretdione prepolymer, reactant and azolate | COVESTRO LLC (US) | 2021-05-18 | — | — | US | disclosed |
| US-20210017322-A1 | URETDIONE-CONTAINING POLYURETHANE-DISPERSIONS COMPRISING HYDROPHILIC GROUPS | COVESTRO DEUTSCHLAND AG (DE) | 2021-01-21 | — | — | US | disclosed |
| CN-111886271-A | Aqueous curable compositions comprising dispersed uretdione prepolymers, reactants, and azoles | 科思创有限公司 | 2020-11-03 | — | — | CN | disclosed |
| CN-111868131-A | Uretdione-containing polyurethane dispersions containing hydrophilic groups | 科思创德国股份有限公司 | 2020-10-30 | — | — | CN | disclosed |
| US-20190292299-A1 | AQUEOUS, CURABLE COMPOSITION, COMPRISING DISPERSED URETDIONE PREPOLYMER, REACTANT AND AZOLATE | COVESTRO LLC | 2019-09-26 | — | — | US | disclosed |
| EP-3543269-A1 | URETDIONE-CONTAINING POLYURETHANE-DISPERSIONS COMPRISING HYDROPHILIC GROUPS | Covestro Deutschland AG (DE) | 2019-09-25 | — | — | EP | disclosed |
| EP-1389221-B1 | METHOD FOR PRODUCING ALIPHATIC POLYISOCYANATES HAVING AN URETDIONE, ISOCYANURATE AND IMINOOXADIAZINDIONE STRUCTURE | BAYER MATERIALSCIENCE AG (DE) | 2009-07-22 | — | — | EP | disclosed |
| EP-1389223-B1 | METHOD FOR PRODUCING POLYISOCYANATES | BAYER MATERIALSCIENCE AG (DE) | 2008-07-23 | — | — | EP | disclosed |
| EP-1859781-A2 | Brightening and/or colouring agent with triazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |
| US-7030266-B2 | Method for producing polyisocyanates | BAYER AKTIENGESELLSCHAFT (DE) | 2006-04-18 | — | — | US | disclosed |
| EP-1389221-A1 | METHOD FOR PRODUCING ALIPHATIC POLYISOCYANATES HAVING AN URETDIONE, ISOCYANURATE AND IMINOOXADIAZINDIONE STRUCTURE | Bayer Aktiengesellschaft (DE) | 2004-02-18 | — | — | EP | disclosed |
| EP-1389223-A1 | METHOD FOR PRODUCING POLYISOCYANATES | Bayer Aktiengesellschaft (DE) | 2004-02-18 | — | — | EP | disclosed |
| US-6590098-B2 | Reacting isocyanates-2+ such as hexamethylene diisocyanate in the presence of catalysts, to form dimers, trimers and/or adducts used as polyurethane paints and coatings | BAYER AKTIENGESELLSCHAFT (DE) | 2003-07-08 | — | — | US | disclosed |
| US-20030078361-A1 | Method of preparing aliphatic polyisocyanates with uretdione, isocyanurate and iminooxadiazindione structures | BAYER AKTIENGESELLSCHAFT (DE) | 2003-04-24 | — | — | US | disclosed |
| US-20030078450-A1 | Method for producing polyisocyanates | COVESTRO DEUTSCHLAND AG (DE) | 2003-04-24 | — | — | US | disclosed |
| WO-2002092658-A1 | METHOD FOR PRODUCING POLYISOCYANATES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-11-21 | — | — | WO | disclosed |
| WO-2002092656-A1 | METHOD FOR PRODUCING ALIPHATIC POLYISOCYANATES HAVING AN URETDIONE, ISOCYANURATE AND IMINOOXADIAZINDIONE STRUCTURE | BAYER AKTIENGESELLSCHAFT (DE) | 2002-11-21 | — | — | WO | disclosed |