⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13559095 | 1.00 | — | — | |
| SCHEMBL13559100 | 1.00 | — | — | |
| SCHEMBL16372559 | 1.00 | — | — | |
| SCHEMBL14642308 | 1.00 | — | — | |
| SCHEMBL13559097 | 1.00 | — | — | |
| SCHEMBL18793168 | 1.00 | — | — | |
| SCHEMBL13605314 | 1.00 | — | — | |
| SCHEMBL2967375 | 0.88 | — | — | |
| SCHEMBL16291601 | 0.83 | — | — | |
| SCHEMBL14569208 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9550756-B2 | Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-01-24 | — | — | US | disclosed |
| US-20150099757-A1 | PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS | TAKEDA PHARMACEUTICAL (JP) | 2015-04-09 | — | — | US | disclosed |