⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22254842 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL24188057 | 0.69 | — | — | |
| SCHEMBL24192983 | 0.67 | TSHR (0.39) | — | |
| SCHEMBL30229162 | 0.67 | TSHR (0.39) | — | |
| SCHEMBL16407739 | 0.66 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL23508922 | 0.66 | LMNA (0.57) | — | |
| SCHEMBL26997980 | 0.66 | CYP2C19 (0.32) | — | |
| SCHEMBL69496 | 0.65 | ALDH1A1 (0.46) | — | |
| SCHEMBL18134201 | 0.65 | ALDH1A1 (0.46) | — | |
| SCHEMBL16384809 | 0.63 | ALDH1A1 (0.35) | — |
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-2022006780-A1 | MANUFACTURE OF COMPOUNDS AND COMPOSITIONS FOR INHIBITING ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2022-01-13 | — | — | WO | disclosed |