⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24450767 | 0.75 | L3MBTL1 (0.37) | — | |
| SCHEMBL2238230 | 0.71 | L3MBTL1 (0.40) | — | |
| SCHEMBL10924783 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL27762430 | 0.68 | CA12 (0.31) | — | |
| SCHEMBL151549 | 0.67 | — | — | |
| SCHEMBL725542 | 0.67 | — | — | |
| SCHEMBL4928898 | 0.67 | — | — | |
| SCHEMBL1756947 | 0.65 | — | — | |
| SCHEMBL4689982 | 0.65 | — | — | |
| SCHEMBL213629 | 0.65 | — | — |
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-5204463-A | Substituted methoxyphenyl-4,5 dihydro-3(2H)-pridazinones having cardiotonic and beta blocking activities | GLAXO INC. (US) | 1993-04-20 | — | — | US | disclosed |
| US-5096904-A | Congestive heart failure | GLAXO INC. (US) | 1992-03-17 | — | — | US | disclosed |
| US-5053338-A | Hydrolysis of ester to obtain an optically enriched mixture of a phenol enantiomer | GLAXO INC. (US) | 1991-10-01 | — | — | US | disclosed |
| EP-0412814-A2 | Pyridazinones having cardiotonic and beta blocking activity | GLAXO WELLCOME INC. (US) | 1991-02-13 | — | — | EP | disclosed |