⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4250483 | 0.88 | CASP3 (0.36) | — | |
| SCHEMBL4254759 | 0.87 | BACE1 (0.32) | — | |
| SCHEMBL4258250 | 0.84 | CASP3 (0.38) | — | |
| SCHEMBL4258919 | 0.82 | TAS2R8 (0.37) | — | |
| SCHEMBL4253900 | 0.82 | LMNA (0.36) | — | |
| SCHEMBL4249573 | 0.82 | NPBWR1 (0.38) | — | |
| SCHEMBL4255975 | 0.82 | CTSB (0.37) | — | |
| SCHEMBL4253843 | 0.82 | NPBWR1 (0.32) | — | |
| SCHEMBL4255978 | 0.81 | NPBWR1 (0.38) | — | |
| SCHEMBL4257495 | 0.81 | CASP1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8481537-B2 | Caspase inhibitors based of pyridazinone scaffold | LG LIFE SCIENCES LTD. (KR) | 2013-07-09 | — | — | US | disclosed |
| US-20090291959-A1 | CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD | LG LIFE SCIENCES LTD. (KR) | 2009-11-26 | — | — | US | disclosed |
| EP-2046757-A1 | CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD | LG Life Sciences Ltd. (KR) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008016239-A1 | CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD | LG LIFE SCIENCES LTD. (KR) | 2008-02-07 | — | — | WO | disclosed |