⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6886042 | 0.78 | — | — | |
| SCHEMBL10571843 | 0.78 | KMT2A (0.33) | — | |
| SCHEMBL13331974 | 0.78 | NPC1 (0.40) | — | |
| SCHEMBL19426063 | 0.76 | — | — | |
| SCHEMBL25308474 | 0.75 | — | — | |
| SCHEMBL25263392 | 0.72 | — | — | |
| SCHEMBL25425971 | 0.71 | CYP1A2 (0.32) | — | |
| SCHEMBL6572565 | 0.70 | GRM4 (0.31) | — | |
| SCHEMBL9644920 | 0.70 | ALDH1A1 (0.58) | — | |
| SCHEMBL25424926 | 0.69 | HPGD (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240284907-A1 | NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES | FORTEPHEST LTD. (IL) | 2024-08-29 | — | — | US | disclosed |
| US-8324133-B2 | Fungicide 2-pyridyl-methylene-carboxamide derivatives | BAYER CROPSCIENCE AG (DE) | 2012-12-04 | — | — | US | disclosed |
| US-20100010048-A1 | Fungicide 2-pyridyl-methylene-carboxamide derivatives | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2010-01-14 | — | — | US | disclosed |