⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26826635 | 0.83 | — | — | |
| SCHEMBL26824993 | 0.77 | — | — | |
| SCHEMBL25646842 | 0.77 | — | — | |
| SCHEMBL29715691 | 0.70 | — | — | |
| SCHEMBL21287147 | 0.67 | GAA (0.47) | — | |
| SCHEMBL20944888 | 0.67 | PTPN11 (0.37) | — | |
| SCHEMBL20944889 | 0.67 | PTPN11 (0.37) | — | |
| SCHEMBL16925303 | 0.67 | PTPN11 (0.37) | — | |
| SCHEMBL29715680 | 0.67 | PTPN11 (0.37) | — | |
| SCHEMBL28696281 | 0.67 | PTPN11 (0.37) | — |
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-4282416-A2 | PROCESS OF MANUFACTURE OF A COMPOUND FOR INHIBITING THE ACTIVITY OF SHP2 | Novartis AG (CH) | 2023-11-29 | — | — | EP | disclosed |