⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25014163 | 0.79 | — | — | |
| SCHEMBL13816565 | 0.78 | — | — | |
| SCHEMBL25014161 | 0.76 | — | — | |
| SCHEMBL25014154 | 0.74 | — | — | |
| SCHEMBL13816562 | 0.71 | — | — | |
| SCHEMBL13816560 | 0.71 | — | — | |
| SCHEMBL13816568 | 0.71 | — | — | |
| SCHEMBL13823466 | 0.69 | — | — | |
| SCHEMBL14428519 | 0.67 | ACHE (0.33) | — | |
| SCHEMBL10952201 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023007982-A1 | PHOSPHORUS COMPOUND HAVING ISOCYANURATE RING, SYNTHETIC METHOD THEREFOR, AND USE OF SAID PHOSPHORUS COMPOUND HAVING ISOCYANURATE RING | 四国化成工業株式会社 | 2023-02-02 | — | — | WO | disclosed |