⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1623070 | 0.93 | — | — | |
| SCHEMBL4418711 | 0.91 | KMT2A (0.46) | — | |
| SCHEMBL17260756 | 0.91 | KMT2A (0.46) | — | |
| Thiophene SCHEMBL29286254 | 0.84 | NPSR1 (0.32) | — | |
| SCHEMBL1396024 | 0.84 | — | — | |
| SCHEMBL6039377 | 0.77 | — | — | |
| SCHEMBL9459901 | 0.76 | DPP4 (0.36) | — | |
| SCHEMBL19545617 | 0.75 | — | — | |
| SCHEMBL11957121 | 0.73 | DPP4 (0.34) | — | |
| SCHEMBL28520620 | 0.71 | — | — |
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 316 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112458142-B | Method for preparing (1R, 2R) -2-hydroxycyclovaleronitrile by biocatalysis | 上海合全药物研发有限公司 | 2023-05-12 | — | — | CN | claimed |
| CN-113429316-A | Method for refining adiponitrile | 瑞典国际化工技术有限公司 | 2021-09-24 | — | — | CN | claimed |
| CN-112458142-A | Method for preparing (1R,2R) -2-hydroxycyclopentanenitrile through biocatalysis | 上海合全药物研发有限公司 | 2021-03-09 | — | — | CN | claimed |
| CN-101522745-B | Photolatent bases for systems based on blocked isocyanates | CIBA HOLDING INC | 2013-06-19 | — | — | CN | claimed |
| CN-101522745-A | Photolatent bases for systems based on blocked isocyanates | CIBA SC HOLDING AG (CH) | 2009-09-02 | — | — | CN | claimed |
| US-7553906-B2 | Polyisocyanate curing agents | BAYER MATERIALSCIENCE AG (DE) | 2009-06-30 | — | — | US | claimed |
| EP-1634904-B1 | Blocked polyurethane prepolymers as adhesives | BAYER MATERIALSCIENCE AG (DE) | 2007-06-06 | — | — | EP | claimed |
| US-7148374-B2 | Elimination-free powder coating crosslinking agents | BAYER AKTIENGESELLSCHAFT (DE) | 2006-12-12 | — | — | US | claimed |
| EP-1375548-B1 | Blocked polyisocyanates | BAYER MATERIALSCIENCE AG (DE) | 2006-09-20 | — | — | EP | claimed |
| US-7057003-B2 | Reactive systems, their preparation and their use | BAYER AKTIENGESELLSCHAFT (DE) | 2006-06-06 | — | — | US | claimed |
| US-20060069225-A1 | Adhesive compositions containing blocked polyurethane prepolymers | BAYER MATERIALSCIENCE AG (DE) | 2006-03-30 | — | — | US | claimed |
| US-6843933-B2 | Low temperature crosslinking; protective coatings | BAYER AKTIENGESELLSCHAFT (DE) | 2005-01-18 | — | — | US | claimed |
| US-20040147704-A1 | Reactive systems, their preparation and their use | COVESTRO DEUTSCHLAND AG (DE) | 2004-07-29 | — | — | US | claimed |
| US-20040138403-A1 | Hydrophilicized blocked polyisocyanates | BAYER AKTIENGESELLSCHAFT (DE) | 2004-07-15 | — | — | US | claimed |
| US-20040133035-A1 | Elimination-free powder coating crosslinking agents | BAYER AKTIENGESELLSCHAFT (DE) | 2004-07-08 | — | — | US | claimed |
| US-20040132909-A1 | Dual cure systems | ALLNEX NETHERLANDS B.V. (NL) | 2004-07-08 | — | — | US | claimed |
| US-20040030086-A1 | Blocked polyisocyanates | COVESTRO DEUTSCHLAND AG (DE) | 2004-02-12 | — | — | US | claimed |
| CN-1468847-A | Closed polyisocyanic acid ester | — | 2004-01-21 | — | — | CN | claimed |
| US-20030026999-A1 | Cyclic ketones as blocking agents | BAYER AKTIENGESELLSCHAFT (DE) | 2003-02-06 | — | — | US | claimed |
| US-4042629-A | REDUCED IRON OXIDE CATALYST | DU PONT OF CANADA (CA) | 1977-08-16 | — | — | US | claimed |