⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20007956 | 0.55 | ALDH1A1 (0.33) | — | |
| SCHEMBL15960837 | 0.53 | — | — | |
| SCHEMBL23288612 | 0.51 | — | — | |
| SCHEMBL23486462 | 0.50 | — | — | |
| SCHEMBL23288605 | 0.49 | — | — | |
| SCHEMBL18461890 | 0.48 | — | — | |
| SCHEMBL20008099 | 0.48 | — | — | |
| SCHEMBL8977432 | 0.48 | LMNA (0.36) | — | |
| SCHEMBL1703854 | 0.48 | — | — | |
| SCHEMBL24181911 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022009098-A1 | MANUFACTURE OF COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2022-01-13 | — | — | WO | disclosed |