⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24313003 | 0.82 | NPC1 (0.32) | — | |
| SCHEMBL30437347 | 0.82 | NPC1 (0.32) | — | |
| SCHEMBL24251878 | 0.79 | NPC1 (0.33) | — | |
| SCHEMBL30408785 | 0.79 | NPC1 (0.33) | — | |
| SCHEMBL26361099 | 0.76 | NPC1 (0.36) | — | |
| SCHEMBL15337285 | 0.72 | NPC1 (0.44) | — | |
| SCHEMBL24313002 | 0.71 | ELANE (0.35) | — | |
| SCHEMBL26411604 | 0.70 | METTL3 (0.31) | — | |
| SCHEMBL26411786 | 0.70 | SRC (0.32) | — | |
| SCHEMBL17708107 | 0.70 | ELANE (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022042612-A1 | DIHYDROPYRROLO[2,3-D]PYRIDAZIN-7-ONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 上海和誉生物医药科技有限公司 | 2022-03-03 | — | — | WO | disclosed |