⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL982462 | 0.90 | ALDH1A1 (0.34) | — | |
| SCHEMBL982507 | 0.89 | PRSS1 (0.35) | — | |
| SCHEMBL983653 | 0.87 | PRSS1 (0.37) | — | |
| SCHEMBL982791 | 0.87 | PRSS1 (0.37) | — | |
| SCHEMBL982167 | 0.87 | PRSS1 (0.37) | — | |
| SCHEMBL982058 | 0.87 | PRSS1 (0.37) | — | |
| SCHEMBL982726 | 0.86 | TAAR1 (0.33) | — | |
| SCHEMBL980116 | 0.84 | — | — | |
| SCHEMBL981975 | 0.83 | POLB (0.31) | — | |
| SCHEMBL981213 | 0.82 | PRSS1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2275406-B1 | PROCESS FOR PRODUCING ISOCYANATE | ASAHI CHEMICAL IND (JP) | 2018-11-28 | — | — | EP | disclosed |
| US-9233918-B2 | Isocyanate production process | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2016-01-12 | — | — | US | disclosed |
| US-20110092731-A1 | ISOCYANATE PRODUCTION PROCESS | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2011-04-21 | — | — | US | disclosed |
| EP-2275406-A1 | PROCESS FOR PRODUCING ISOCYANATE | Asahi Kasei Chemicals Corporation (JP) | 2011-01-19 | — | — | EP | disclosed |