⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7343505 | 0.67 | OXER1 (0.30) | — | |
| SCHEMBL7348848 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL7492653 | 0.64 | HTT (0.34) | — | |
| SCHEMBL7351027 | 0.62 | — | — | |
| SCHEMBL10559140 | 0.59 | IRAK4 (0.38) | — | |
| SCHEMBL9589608 | 0.58 | MEN1 (0.32) | — | |
| SCHEMBL6030779 | 0.57 | CA12 (0.57) | — | |
| SCHEMBL10556691 | 0.57 | CTSA (0.45) | — | |
| SCHEMBL20607176 | 0.57 | FFAR1 (0.37) | — | |
| SCHEMBL29628801 | 0.57 | FFAR1 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0509845-A1 | (+) and (-) enantiomers of 5-aliphatic-6-(benzoxazinyl- or benzothiazinyl)-2,3,4,5-tetrahydropyridazin-3-ones | ORTHO PHARMACEUTICAL CORPORATION (US) | 1992-10-21 | — | — | EP | disclosed |