⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14546926 | 0.83 | — | — | |
| SCHEMBL622574 | 0.81 | MEN1 (0.45) | — | |
| SCHEMBL5568640 | 0.79 | HRH3 (0.42) | — | |
| SCHEMBL21556963 | 0.77 | — | — | |
| SCHEMBL306157 | 0.77 | — | — | |
| SCHEMBL14066997 | 0.77 | — | — | |
| SCHEMBL5564524 | 0.77 | F13A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL29174570 | 0.76 | PKM (0.46) | — | |
| Hydrochloric Acid SCHEMBL6991855 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL20379108 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3666274-A1 | CARBOXAMIDE DERIVATIVES AND USE THEREOF | Purdue Pharma LP (US) | 2020-06-17 | — | — | EP | disclosed |
| WO-2011051673-A1 | AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS | VANTIA LIMITED (GB) | 2011-05-05 | — | — | WO | disclosed |