⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7472570 | 1.00 | — | — | |
| SCHEMBL7479806 | 0.88 | — | — | |
| SCHEMBL7478173 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL7479776 | 0.85 | CYP1A2 (0.31) | — | |
| SCHEMBL7479782 | 0.85 | CYP1A2 (0.31) | — | |
| SCHEMBL7480349 | 0.84 | — | — | |
| SCHEMBL7480345 | 0.84 | — | — | |
| SCHEMBL7475890 | 0.76 | CYP1A2 (0.31) | — | |
| SCHEMBL7475888 | 0.76 | CYP1A2 (0.31) | — | |
| SCHEMBL7472573 | 0.73 | CYP1A2 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0742218-B1 | PYRROLOPYRIDAZINE DERIVATIVE | SANKYO CO (JP) | 2002-12-04 | — | — | EP | disclosed |
| US-6063782-A | Pyrrolopyridazine derivatives | SANKYO COMPANY, LIMITED (JP) | 2000-05-16 | — | — | US | disclosed |
| EP-0742218-A1 | PYRROLOPYRIDAZINE DERIVATIVE | SANKYO COMPANY LIMITED (JP) | 1996-11-13 | — | — | EP | disclosed |