⚠ 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 | |
|---|---|---|---|---|
| Hydrazine SCHEMBL8978219 | 0.97 | CYP1A2 (0.50) | — | |
| SCHEMBL130604 | 0.94 | — | — | |
| Arsenic SCHEMBL3954753 | 0.91 | — | — | |
| Bromide SCHEMBL9835804 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL450376 | 0.91 | — | — | |
| SCHEMBL128592 | 0.88 | — | — | |
| Dimethylamine SCHEMBL3361405 | 0.86 | CYP1A2 (0.50) | — | |
| SCHEMBL23227948 | 0.85 | CYP1A2 (0.62) | — | |
| SCHEMBL905661 | 0.85 | CYP1A2 (0.70) | — | |
| SCHEMBL7741556 | 0.85 | CYP1A2 (0.70) | — |
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-0971901-B1 | PHTHALAZINONES | ALTANA PHARMA AG (DE) | 2003-02-26 | — | — | EP | disclosed |
| US-6103718-A | Phthalazinones | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-08-15 | — | — | US | disclosed |
| EP-0971901-A1 | PHTHALAZINONES | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998031674-A1 | PHTHALAZINONES | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1998-07-23 | — | — | WO | disclosed |