⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11379241 | 0.78 | — | — | |
| SCHEMBL3756 | 0.64 | — | — | |
| SCHEMBL61864 | 0.64 | GABRA1 (0.39) | — | |
| SCHEMBL533425 | 0.63 | GABRA1 (0.40) | — | |
| SCHEMBL1131597 | 0.63 | PTGS1 (0.56) | — | |
| SCHEMBL1312347 | 0.63 | GABRA1 (0.46) | — | |
| SCHEMBL5174938 | 0.61 | PTGS1 (0.54) | — | |
| SCHEMBL680803 | 0.60 | — | — | |
| SCHEMBL17877184 | 0.59 | — | — | |
| SCHEMBL1777262 | 0.59 | GABRA1 (0.35) | — |
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 11 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 |
| CN-101374844-A | Pyrrolopyridazinone compound | UBE INDUSTRIES (JP) | 2009-02-25 | — | — | CN | 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 |
| US-4910331-A | Decyclizing, sulfonating a dithiolane ring with a sulfone compound | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-03-20 | — | — | US | disclosed |
| EP-0140352-B1 | NOVEL PROCESS FOR PRODUCING THIOLSULFONIC ACID DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 1986-10-01 | — | — | EP | disclosed |
| EP-0140352-A2 | Novel process for producing thiolsulfonic acid derivatives | Takeda Chemical Industries, Ltd. (JP) | 1985-05-08 | — | — | EP | disclosed |
| US-4225608-A | ANTIDEPRESSANTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1980-09-30 | — | — | US | disclosed |
| US-4120886-A | APHIDICIDES | PPG INDUSTRIES, INC. (US) | 1978-10-17 | — | — | US | disclosed |
| US-4055656-A | S-ARYL-N-CYCLOALKYLTHIOLCARBAMATES | PPG INDUSTRIES, INC. (US) | 1977-10-25 | — | — | US | disclosed |