⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL128207 | 0.85 | P2RX7 (0.30) | — | |
| SCHEMBL128411 | 0.83 | ESR2 (0.34) | — | |
| SCHEMBL131618 | 0.77 | — | — | |
| SCHEMBL126865 | 0.77 | SLC6A4 (0.30) | — | |
| SCHEMBL131391 | 0.73 | — | — | |
| SCHEMBL127689 | 0.73 | SLC6A4 (0.32) | — | |
| SCHEMBL14128934 | 0.73 | ESR2 (0.41) | — | |
| SCHEMBL128734 | 0.73 | — | — | |
| SCHEMBL25025736 | 0.68 | — | — | |
| Ethylene Glycol SCHEMBL8325727 | 0.67 | ESR2 (0.38) | — |
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-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20090036453-A1 | Pyrrolopyridazinone Compound | UBE INDUSTRIES, LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | disclosed |