⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25884456 | 0.93 | — | — | |
| SCHEMBL29318693 | 0.85 | — | — | |
| SCHEMBL29318695 | 0.79 | — | — | |
| SCHEMBL31386209 | 0.79 | SLC6A2 (0.42) | — | |
| SCHEMBL31386254 | 0.79 | SLC6A2 (0.42) | — | |
| SCHEMBL29318687 | 0.78 | — | — | |
| SCHEMBL29318689 | 0.77 | SLC6A3 (0.52) | — | |
| SCHEMBL31386223 | 0.76 | TAAR1 (0.50) | — | |
| SCHEMBL29318704 | 0.75 | — | — | |
| SCHEMBL31386211 | 0.73 | TAAR1 (0.45) | — |
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-20240239756-A1 | NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2024-07-18 | — | — | US | disclosed |
| US-20240239756-A1 | NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2024-07-18 | — | — | US | disclosed |