⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1333852 | 0.75 | NPC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL26093915 | 0.72 | NPC1 (0.31) | — | |
| SCHEMBL31571862 | 0.72 | — | — | |
| SCHEMBL15265720 | 0.72 | — | — | |
| SCHEMBL3639549 | 0.72 | — | — | |
| SCHEMBL23852664 | 0.72 | — | — | |
| SCHEMBL15240878 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL20447108 | 0.70 | MBOAT4 (0.36) | — | |
| SCHEMBL1422321 | 0.67 | — | — | |
| SCHEMBL21780377 | 0.67 | KDM4E (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 7 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 |
| EP-4156936-A1 | ACTIVE COMPOUND COMBINATIONS | Bayer Aktiengesellschaft (DE) | 2023-04-05 | — | — | EP | disclosed |
| US-20230054449-A1 | PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-02-23 | — | — | US | disclosed |
| WO-2021239766-A1 | ACTIVE COMPOUND COMBINATIONS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-12-02 | — | — | WO | 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 |