⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15651854 | 0.84 | PDE4D (0.31) | — | |
| SCHEMBL17083383 | 0.83 | LRRK2 (0.31) | — | |
| SCHEMBL31435997 | 0.78 | ALDH1A1 (0.45) | — | |
| SCHEMBL1359582 | 0.78 | LRRK2 (0.44) | — | |
| SCHEMBL1359580 | 0.78 | LRRK2 (0.44) | — | |
| SCHEMBL1359590 | 0.76 | MET (0.35) | — | |
| SCHEMBL1359591 | 0.76 | MET (0.35) | — | |
| SCHEMBL31435966 | 0.75 | HCAR1 (0.46) | — | |
| SCHEMBL31435992 | 0.74 | SRC (0.44) | — | |
| SCHEMBL15653412 | 0.73 | PDE10A (0.34) | — |
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-2023094310-A1 | PYRAZOLOTRIAZINE DERIVATIVES USEFUL AS CDK9 INHIBITORS | ORIGENIS GMBH (DE) | 2023-06-01 | — | — | WO | disclosed |