⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18844820 | 0.87 | — | — | |
| SCHEMBL23689897 | 0.85 | KDM4E (0.30) | — | |
| SCHEMBL23689977 | 0.80 | — | — | |
| SCHEMBL26523559 | 0.73 | BRD4 (0.31) | — | |
| SCHEMBL13104198 | 0.72 | — | — | |
| SCHEMBL26523589 | 0.72 | — | — | |
| SCHEMBL23689889 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL18616402 | 0.71 | — | — | |
| SCHEMBL18844842 | 0.69 | — | — | |
| SCHEMBL26075730 | 0.69 | ALOX5 (0.37) | — |
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-20230321091-A1 | SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES | EDGEWISE THERAPEUTICS, INC. | 2023-10-12 | — | — | US | disclosed |
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |