⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9440058 | 1.00 | — | — | |
| SCHEMBL9439987 | 0.94 | MAPK1 (0.30) | — | |
| SCHEMBL9440041 | 0.90 | MAPK1 (0.33) | — | |
| SCHEMBL9439887 | 0.89 | — | — | |
| SCHEMBL9439849 | 0.89 | — | — | |
| SCHEMBL9439850 | 0.85 | — | — | |
| SCHEMBL9440116 | 0.85 | — | — | |
| SCHEMBL9439836 | 0.85 | — | — | |
| SCHEMBL9439921 | 0.84 | — | — | |
| SCHEMBL9439841 | 0.82 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5336749-A | Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1994-08-09 | — | — | US | disclosed |
| EP-0394058-B1 | ALICYCLIC DIAMINES, ALICYCLIC DIISOCYANATES AND POLYISOCYANATO-ISOCYANURATES AND METHOD FOR THE PREPARATION THEREOF | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-08-25 | — | — | EP | disclosed |
| US-5210286-A | Hydrogenation of corresponding aromatic compound, reaction with phosgene | MITSUI TOATSU CHEMICALS, INC. (JP) | 1993-05-11 | — | — | US | disclosed |
| US-5126426-A | Catalytic hydrogenation of aromatic diamine | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1992-06-30 | — | — | US | disclosed |