⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28286111 | 0.63 | — | — | |
| SCHEMBL12181317 | 0.61 | — | — | |
| SCHEMBL21974063 | 0.60 | — | — | |
| SCHEMBL20403381 | 0.53 | — | — | |
| SCHEMBL18685171 | 0.53 | — | — | |
| Methylamine SCHEMBL27892054 | 0.52 | — | — | |
| SCHEMBL28295072 | 0.52 | — | — | |
| SCHEMBL20887398 | 0.52 | — | — | |
| Bromide SCHEMBL28207977 | 0.51 | — | — | |
| SCHEMBL2933324 | 0.50 | HRH3 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240016152-A1 | ACTIVE COMPOUND COMBINATIONS | BAYER AKTIENGESELLSCHAFT (DE) | 2024-01-18 | — | — | US | disclosed |
| US-20230064576-A1 | HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-03-02 | — | — | US | disclosed |