⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL564890 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL5574787 | 0.98 | KMT2A (0.47) | — | |
| SCHEMBL4076540 | 0.82 | L3MBTL1 (0.42) | — | |
| SCHEMBL374406 | 0.76 | — | — | |
| SCHEMBL29382825 | 0.76 | — | — | |
| SCHEMBL12590021 | 0.76 | NPC1 (0.49) | — | |
| SCHEMBL17164052 | 0.74 | NPC1 (0.47) | — | |
| SCHEMBL39924 | 0.73 | — | — | |
| SCHEMBL31051471 | 0.73 | — | — | |
| SCHEMBL2491280 | 0.71 | — | — |
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-4146643-A1 | NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES | Bayer Aktiengesellschaft (DE) | 2023-03-15 | — | — | EP | disclosed |
| EP-4107151-A1 | HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES | Bayer Aktiengesellschaft (DE) | 2022-12-28 | — | — | EP | disclosed |