⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL130704 | 0.92 | USP2 (0.52) | — | |
| SCHEMBL25677702 | 0.90 | USP2 (0.55) | — | |
| SCHEMBL129126 | 0.90 | USP2 (0.55) | — | |
| SCHEMBL128128 | 0.83 | — | — | |
| SCHEMBL29300033 | 0.79 | HSD17B10 (0.48) | — | |
| SCHEMBL19731772 | 0.78 | USP2 (0.53) | — | |
| SCHEMBL19731697 | 0.78 | USP2 (0.39) | — | |
| SCHEMBL29300066 | 0.77 | HSD17B10 (0.31) | — | |
| SCHEMBL19731695 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL22519893 | 0.77 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11560376-B2 | Amino acid compounds and methods of use | PLIANT THERAPEUTICS, INC. (US) | 2023-01-24 | — | — | US | disclosed |
| US-20220263135-A1 | ELECTROLYTIC SOLUTION, SECONDARY BATTERY, AND MODULE | DAIKIN INDUSTRIES, LTD. (JP) | 2022-08-18 | — | — | US | disclosed |
| US-20210017171-A1 | AMINO ACID COMPOUNDS AND METHODS OF USE | PLIANT THERAPEUTICS, INC. | 2021-01-21 | — | — | US | disclosed |
| 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 |