⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9585546 | 0.76 | FABP6 (0.41) | — | |
| SCHEMBL9584121 | 0.72 | MAPT (0.46) | — | |
| SCHEMBL3195006 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL2350606 | 0.72 | MAPT (0.50) | — | |
| SCHEMBL7297786 | 0.71 | MAPT (0.38) | — | |
| SCHEMBL7293216 | 0.68 | PTGS1 (0.41) | — | |
| SCHEMBL1492678 | 0.68 | PARP1 (0.41) | — | |
| SCHEMBL9586825 | 0.68 | MTNR1A (0.42) | — | |
| SCHEMBL131072 | 0.66 | ITGB2 (0.52) | — | |
| SCHEMBL7289948 | 0.66 | CA9 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230180756-A1 | TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-06-15 | — | — | US | disclosed |
| US-20230165252-A1 | ACTIVE COMPOUND COMBINATIONS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-06-01 | — | — | US | disclosed |
| US-20230054449-A1 | PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-02-23 | — | — | US | disclosed |
| EP-3887362-A1 | PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS | Bayer Aktiengesellschaft (DE) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020109391-A1 | PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-06-04 | — | — | WO | disclosed |