⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4591310 | 0.69 | — | — | |
| SCHEMBL5534851 | 0.65 | — | — | |
| SCHEMBL10968406 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL28648069 | 0.63 | — | — | |
| SCHEMBL22865627 | 0.60 | — | — | |
| SCHEMBL21720474 | 0.60 | NPC1 (0.30) | — | |
| SCHEMBL5849008 | 0.51 | ALDH1A1 (0.46) | — | |
| SCHEMBL97717 | 0.50 | — | — | |
| SCHEMBL5538688 | 0.50 | — | — | |
| Tetrachlorothiophene SCHEMBL433499 | 0.46 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4273147-A1 | SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2023-11-08 | — | — | EP | claimed |
| EP-4273147-A1 | SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2023-11-08 | — | — | EP | disclosed |
| EP-0942909-A1 | BICYCLIC AMINE DERIVATIVES | ZENECA LIMITED (GB) | 1999-09-22 | — | — | EP | disclosed |
| WO-1998022463-A1 | BICYCLIC AMINE DERIVATIVES | ZENECA LIMITED (GB) | 1998-05-28 | — | — | WO | disclosed |