⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25403562 | 0.85 | — | — | |
| SCHEMBL6056027 | 0.84 | — | — | |
| SCHEMBL9296184 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL3109059 | 0.78 | — | — | |
| SCHEMBL8322905 | 0.78 | — | — | |
| SCHEMBL7032943 | 0.77 | — | — | |
| SCHEMBL7032953 | 0.77 | — | — | |
| SCHEMBL10618203 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL5970529 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL7700957 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023176458-A1 | DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND | 石原産業株式会社 | 2023-09-21 | — | — | WO | disclosed |
| WO-2005009370-A2 | BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS | PHARMACIA CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |