⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4441754 | 0.97 | DPP4 (0.34) | — | |
| SCHEMBL2867961 | 0.94 | — | — | |
| SCHEMBL4591763 | 0.88 | — | — | |
| SCHEMBL26741671 | 0.72 | — | — | |
| SCHEMBL1488095 | 0.72 | — | — | |
| SCHEMBL422018 | 0.72 | — | — | |
| SCHEMBL16923652 | 0.72 | — | — | |
| SCHEMBL14395107 | 0.72 | — | — | |
| SCHEMBL3428168 | 0.70 | DPP4 (0.39) | — | |
| SCHEMBL5608003 | 0.70 | CYP2C19 (0.45) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019115775-A1 | SUBSTITUTED TETRAHYDROPYRAN DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2019-06-20 | — | — | WO | disclosed |
| EP-3464248-A1 | 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES | Bayer Pharma Aktiengesellschaft (DE) | 2019-04-10 | — | — | EP | disclosed |
| WO-2017202816-A1 | 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-11-30 | — | — | WO | disclosed |
| EP-1863477-A1 | 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION | Novartis AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006100036-A1 | 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION | NOVARTIS AG (CH) | 2006-09-28 | — | — | WO | disclosed |
| US-20020127577-A1 | Bioactive sensors | GRAFFINITY PHARMACEUTICALS AG (DE) | 2002-09-12 | — | — | US | disclosed |