⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3649771 | 0.72 | — | — | |
| SCHEMBL7042020 | 0.64 | CA1 (0.58) | — | |
| SCHEMBL6738735 | 0.64 | CA1 (0.58) | — | |
| SCHEMBL5198695 | 0.64 | CA1 (0.58) | — | |
| SCHEMBL10915 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL17363299 | 0.61 | — | — | |
| SCHEMBL4554729 | 0.59 | CA1 (0.52) | — | |
| SCHEMBL8731692 | 0.59 | CA1 (0.52) | — | |
| SCHEMBL7784650 | 0.59 | CA1 (0.52) | — | |
| SCHEMBL29594067 | 0.59 | CA1 (0.52) | — |
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-0723535-A1 | NOVEL 1,3-OXAZIN-4-ONE DERIVATIVES, HERBICIDES CONTAINING THE SAME, AND INTERMEDIATES FOR PREPARING THE SAME | RHONE-POULENC AGROCHIMIE SOCIETE ANONYME (FR) | 1996-07-31 | — | — | EP | disclosed |
| WO-1995010510-A1 | NOVEL 1,3-OXAZIN-4-ONE DERIVATIVES, HERBICIDES CONTAINING THE SAME, AND INTERMEDIATES FOR PREPARING THE SAME | RHONE-POULENC AGROCHIMIE (FR) | 1995-04-20 | — | — | WO | disclosed |