⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL11013396 | 0.97 | — | — | |
| SCHEMBL5153801 | 0.67 | — | — | |
| SCHEMBL4086483 | 0.67 | — | — | |
| SCHEMBL19457696 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL666843 | 0.67 | — | — | |
| SCHEMBL11279005 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL5497328 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL8322424 | 0.65 | — | — | |
| SCHEMBL4508394 | 0.63 | — | — | |
| SCHEMBL18775103 | 0.63 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4658262-A1 | BICYCLIC IMIDE COMPOUNDS AS TRPA1 INHIBITORS | D.E. Shaw Research, LLC (US) | 2025-12-10 | — | — | EP | disclosed |
| WO-2024163333-A1 | BICYCLIC IMIDE COMPOUNDS AS TRPA1 INHIBITORS | D. E. SHAW RESEARCH, LLC (US) | 2024-08-08 | — | — | WO | disclosed |
| EP-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | disclosed |
| US-6011028-A | Cyclic amidino agents useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 2000-01-04 | — | — | US | disclosed |
| EP-0821674-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033175-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-10-24 | — | — | WO | disclosed |