⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27381477 | 0.96 | — | — | |
| SCHEMBL7341597 | 0.79 | PDE3A (0.41) | — | |
| SCHEMBL27376325 | 0.77 | PDE3B (0.42) | — | |
| SCHEMBL7350628 | 0.74 | PDE3A (0.41) | — | |
| SCHEMBL27362449 | 0.73 | PDE3B (0.52) | — | |
| SCHEMBL27376326 | 0.72 | — | — | |
| SCHEMBL27447335 | 0.72 | PDE3B (0.41) | — | |
| SCHEMBL27381476 | 0.69 | PDE3B (0.41) | — | |
| SCHEMBL27357281 | 0.65 | PDE3B (0.33) | — | |
| SCHEMBL27364729 | 0.64 | PDE3B (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 |
|---|---|---|---|---|---|---|---|
| CN-1071427-A | 6-Benzoxazinyl and 6-benzothiazine base-2,3,4,5-tetrahydro pyridazine-3-ketone | ORTHO PHARMA CORP (US) | 1993-04-28 | — | — | CN | disclosed |
| CN-87108354-A | 6-benzoxazinyl and 6-benzothiazinyl-2, 3, 4, 5-tetrahydropyridazin-3-ones | — | 1988-09-21 | — | — | CN | disclosed |