⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8527853 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL10607409 | 0.80 | — | — | |
| SCHEMBL6862860 | 0.79 | — | — | |
| SCHEMBL1908256 | 0.79 | — | — | |
| SCHEMBL10605409 | 0.78 | — | — | |
| SCHEMBL10507016 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL11460874 | 0.77 | — | — | |
| SCHEMBL10605224 | 0.74 | ALOX5 (0.32) | — | |
| SCHEMBL19215804 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL9059955 | 0.74 | ALDH1A1 (0.33) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0128382-B1 | 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO-CYCLOHEXANES AND/OR 1-ALKYL-4-ISOCYANATO-METHYL-ISOCYANATO-CYCLOHEXANES AND THE LIKE DIAMINES, PROCESSES FOR THEIR PREPARATION, AND USE | BASF Aktiengesellschaft (DE) | 1989-09-27 | — | — | EP | claimed |
| EP-0128382-A1 | 1-Alkyl-2-isocyanatomethyl-isocyanato-cyclohexanes and/or 1-alkyl-4-isocyanato-methyl-isocyanato-cyclohexanes and the like diamines, processes for their preparation, and use | BASF Aktiengesellschaft (DE) | 1984-12-19 | — | — | EP | claimed |
| EP-2283055-A1 | STABLE POLYISOCYANATES COMPRISING NANOPARTICLES | Bayer MaterialScience AG (DE) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009138181-A1 | STABLE POLYISOCYANATES COMPRISING NANOPARTICLES | BAYER MATERIALSCIENCE AG (DE) | 2009-11-19 | — | — | WO | disclosed |
| EP-1355576-A1 | PROTECTIVE COATING HAVING A BI-LAYER COATING STRUCTURE | Bayer Aktiengesellschaft (DE) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002058569-A1 | PROTECTIVE COATING HAVING A BI-LAYER COATING STRUCTURE | BAYER AKTIENGESELLSCHAFT (DE) | 2002-08-01 | — | — | WO | disclosed |
| EP-0849268-B1 | Polycyclic iminooxadiazindiones from (cyclo)aliphatic 1,4-diisocyanates | BAYER AG (DE) | 2001-10-10 | — | — | EP | disclosed |
| US-5882544-A | Polycyclic iminooxadiazinediones from (cyclo)aliphatic 1,4-diisocyanates | BAYER AKTIENGESELLSCHAFT (DE) | 1999-03-16 | — | — | US | disclosed |
| EP-0849268-A1 | Polycyclic iminooxadiazindiones from (cyclo)aliphatic 1,4-diisocyanates | BAYER AG (DE) | 1998-06-24 | — | — | EP | disclosed |
| EP-0128382-B1 | 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO-CYCLOHEXANES AND/OR 1-ALKYL-4-ISOCYANATO-METHYL-ISOCYANATO-CYCLOHEXANES AND THE LIKE DIAMINES, PROCESSES FOR THEIR PREPARATION, AND USE | BASF Aktiengesellschaft (DE) | 1989-09-27 | — | — | EP | disclosed |
| EP-0128382-A1 | 1-Alkyl-2-isocyanatomethyl-isocyanato-cyclohexanes and/or 1-alkyl-4-isocyanato-methyl-isocyanato-cyclohexanes and the like diamines, processes for their preparation, and use | BASF Aktiengesellschaft (DE) | 1984-12-19 | — | — | EP | disclosed |