⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7491219 | 0.78 | — | — | |
| SCHEMBL7350852 | 0.76 | MEN1 (0.32) | — | |
| SCHEMBL7341554 | 0.71 | CYP1A2 (0.35) | — | |
| SCHEMBL9589608 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL7348345 | 0.68 | PDE3B (0.44) | — | |
| SCHEMBL10353455 | 0.68 | HDAC3 (0.49) | — | |
| SCHEMBL7485816 | 0.68 | USP30 (0.46) | — | |
| SCHEMBL9590946 | 0.65 | PARP1 (0.45) | — | |
| SCHEMBL11333153 | 0.65 | KMT2A (0.39) | — | |
| SCHEMBL7343918 | 0.65 | PARP1 (0.50) | — |
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 4 patents. 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 |
| US-5081242-A | Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors | ORTHO PHARMACEUTICAL CORPORATION (US) | 1992-01-14 | — | — | US | disclosed |
| US-4766118-A | CARDIOTONIC AGENTS, PHOSPHODIESTERASE INHIBITORS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1988-08-23 | — | — | US | disclosed |
| EP-0272914-A2 | 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones | ORTHO PHARMACEUTICAL CORPORATION (US) | 1988-06-29 | — | — | EP | disclosed |