⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26823091 | 0.77 | — | — | |
| SCHEMBL23022504 | 0.70 | PTPN11 (0.40) | — | |
| SCHEMBL23022465 | 0.70 | PTPN11 (0.40) | — | |
| SCHEMBL27004723 | 0.68 | HRH3 (0.32) | — | |
| SCHEMBL19704319 | 0.68 | PTPN11 (0.43) | — | |
| SCHEMBL24080953 | 0.68 | PTPN11 (0.43) | — | |
| SCHEMBL18392396 | 0.68 | PTPN11 (0.43) | — | |
| SCHEMBL18390355 | 0.62 | PTPN11 (0.39) | — | |
| SCHEMBL21887253 | 0.61 | — | — | |
| SCHEMBL26826635 | 0.60 | — | — |
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 |