⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4929111 | 0.83 | SLC6A2 (0.36) | — | |
| SCHEMBL196198 | 0.80 | — | — | |
| SCHEMBL11392320 | 0.78 | SLC6A2 (0.33) | — | |
| SCHEMBL5437330 | 0.78 | TRPA1 (0.34) | — | |
| SCHEMBL1845913 | 0.75 | — | — | |
| SCHEMBL624558 | 0.75 | — | — | |
| SCHEMBL7901842 | 0.75 | TRPA1 (0.33) | — | |
| SCHEMBL7912109 | 0.75 | TRPA1 (0.33) | — | |
| SCHEMBL8251229 | 0.75 | — | — | |
| SCHEMBL7339478 | 0.75 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110343238-A | A kind of acid-sensitive degradable amphiphilic compound and preparation method thereof and purposes | 温州医科大学附属眼视光医院 | 2019-10-18 | — | — | CN | disclosed |
| CN-109336447-A | A kind of stable type slump retaining agent and its preparation and application | 上海东大化学有限公司 | 2019-02-15 | — | — | CN | disclosed |
| CN-102876131-B | Stretchable ink composite | 施乐公司 | 2017-03-01 | — | — | CN | disclosed |
| CN-102439054-B | Hydrophobically associating copolymers | BASF SE | 2014-05-21 | — | — | CN | disclosed |
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| CN-101374844-B | Pyrrolopyridazinone compound | UBE INDUSTRIES | 2012-10-24 | — | — | CN | disclosed |
| CN-102753628-A | Coating composition | BYK CHEMIE GMBH | 2012-10-24 | — | — | CN | 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-5510226-A | FORMING NETWORKS CURABLE BY ACID RELEASED FROM PHOTOINITIATOR; MONOMERS HAVING FUNCTIONALITY OF TWO OR MORE | ALLIEDSIGNAL INC. (US) | 1996-04-23 | — | — | US | disclosed |