⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4913582 | 0.77 | — | — | |
| SCHEMBL6798395 | 0.76 | — | — | |
| SCHEMBL5641167 | 0.70 | CA1 (0.34) | — | |
| SCHEMBL17262087 | 0.65 | CA1 (0.30) | — | |
| SCHEMBL11235275 | 0.65 | CA1 (0.32) | — | |
| SCHEMBL8422500 | 0.63 | ATM (0.38) | — | |
| SCHEMBL1674502 | 0.63 | — | — | |
| SCHEMBL4487168 | 0.63 | — | — | |
| Water SCHEMBL2852321 | 0.63 | — | — | |
| SCHEMBL2500023 | 0.62 | ADH1A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080293674-A1 | Azinyl Imidazoazine and Azinyl Carboxamide | BAYER CROPSCIENCE AG (DE) | 2008-11-27 | — | — | US | claimed |
| US-20080293674-A1 | Azinyl Imidazoazine and Azinyl Carboxamide | BAYER CROPSCIENCE AG (DE) | 2008-11-27 | — | — | US | disclosed |