⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9724757 | 0.71 | — | — | |
| SCHEMBL2679804 | 0.70 | — | — | |
| SCHEMBL5300460 | 0.70 | — | — | |
| SCHEMBL7546649 | 0.70 | — | — | |
| SCHEMBL8805850 | 0.70 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL10572705 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8544398 | 0.68 | — | — | |
| SCHEMBL255252 | 0.67 | — | — | |
| SCHEMBL11020525 | 0.67 | — | — | |
| SCHEMBL29877544 | 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 |
|---|---|---|---|---|---|---|---|
| CN-109153654-B | Method for producing isocyanuric acid derivative having 1 hydrocarbon group | 日产化学株式会社 | 2022-11-11 | — | — | CN | disclosed |