⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4077802 | 0.81 | — | — | |
| SCHEMBL3409401 | 0.80 | KCNA5 (0.49) | — | |
| SCHEMBL3409704 | 0.79 | CYP2A6 (0.50) | — | |
| Hydrochloric Acid SCHEMBL4024971 | 0.78 | KCNA5 (0.47) | — | |
| SCHEMBL6314853 | 0.76 | KCNA5 (0.40) | — | |
| SCHEMBL22086556 | 0.75 | CYP2A6 (0.46) | — | |
| SCHEMBL1507818 | 0.75 | — | — | |
| SCHEMBL15758182 | 0.75 | — | — | |
| SCHEMBL29435745 | 0.75 | — | — | |
| SCHEMBL518808 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11702406-B1 | Triazine derivatives and methods of use thereof | ASCLETIS BIOSCIENCE CO., LTD. (CN) | 2023-07-18 | — | — | US | disclosed |