⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3681706 | 0.76 | KDM4E (0.36) | — | |
| SCHEMBL5174512 | 0.72 | — | — | |
| SCHEMBL111581 | 0.69 | — | — | |
| SCHEMBL1799922 | 0.69 | — | — | |
| SCHEMBL7606614 | 0.69 | — | — | |
| SCHEMBL4730737 | 0.67 | — | — | |
| SCHEMBL2844037 | 0.67 | — | — | |
| SCHEMBL21603135 | 0.67 | — | — | |
| SCHEMBL513158 | 0.67 | — | — | |
| Methane SCHEMBL15355545 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1581535-A1 | PYRROLOPYRIDAZINE DERIVATIVES | Astellas Pharma Inc. (JP) | 2005-10-05 | — | — | EP | disclosed |
| WO-2004063197-A1 | PYRROLOPYRIDAZINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-07-29 | — | — | WO | disclosed |