⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25687242 | 0.81 | — | — | |
| SCHEMBL5209784 | 0.81 | — | — | |
| SCHEMBL217054 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL6266858 | 0.79 | — | — | |
| Water SCHEMBL29236409 | 0.79 | — | — | |
| SCHEMBL24017050 | 0.77 | OPRM1 (0.40) | — | |
| SCHEMBL428264 | 0.77 | OPRM1 (0.40) | — | |
| SCHEMBL3020246 | 0.75 | — | — | |
| SCHEMBL14923929 | 0.75 | — | — | |
| SCHEMBL24547712 | 0.73 | METAP1 (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3838892-A1 | METHOD FOR PRODUCING ISOCYANATE | Asahi Kasei Kabushiki Kaisha (JP) | 2021-06-23 | — | — | EP | disclosed |
| EP-3293173-A1 | METHOD FOR PRODUCING ISOCYANATE | Asahi Kasei Kabushiki Kaisha (JP) | 2018-03-14 | — | — | EP | disclosed |