⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29501299 | 0.96 | — | — | |
| SCHEMBL9977 | 0.96 | — | — | |
| Pyrazine SCHEMBL2538511 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL8799455 | 0.92 | — | — | |
| SCHEMBL28122131 | 0.92 | — | — | |
| SCHEMBL1685846 | 0.89 | — | — | |
| Formaldehyde SCHEMBL27467279 | 0.86 | — | — | |
| Pyridazine SCHEMBL28033129 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL28591258 | 0.86 | — | — | |
| SCHEMBL1905671 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3897977-B1 | BI-FUNCTIONAL NANOHYBRIDS | SON (FR) | 2024-11-27 | — | — | EP | claimed |