⚠ 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 SCHEMBL11683597 | 0.97 | — | — | |
| SCHEMBL11844558 | 0.85 | — | — | |
| Iodide SCHEMBL10423707 | 0.83 | EPHX1 (0.40) | — | |
| SCHEMBL6543354 | 0.83 | EPHX1 (0.46) | — | |
| Iodide SCHEMBL11646271 | 0.81 | EPHX1 (0.45) | — | |
| SCHEMBL21451502 | 0.79 | — | — | |
| SCHEMBL11674648 | 0.78 | EPHX1 (0.44) | — | |
| SCHEMBL3417341 | 0.78 | — | — | |
| Iodide SCHEMBL1179447 | 0.76 | — | — | |
| SCHEMBL17112282 | 0.73 | CYP2D6 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4041393-B1 | NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES | BAYER AG (DE) | 2026-04-08 | — | — | EP | disclosed |
| US-20230028441-A1 | NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES | ELANCO ANIMAL HEALTH GMBH (DE) | 2023-01-26 | — | — | US | disclosed |
| EP-4041393-A1 | NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES | Bayer Aktiengesellschaft (DE) | 2022-08-17 | — | — | EP | disclosed |
| WO-2021069567-A1 | NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2021-04-15 | — | — | WO | disclosed |
| WO-2007055942-A2 | SUBSTITUTED NICOTINAMIDE COMPOUNDS | MERCK & CO., INC. (US) | 2007-05-18 | — | — | WO | disclosed |