⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11569 | 0.65 | — | — | |
| SCHEMBL473898 | 0.65 | — | — | |
| SCHEMBL4922 | 0.65 | — | — | |
| SCHEMBL5841 | 0.65 | — | — | |
| SCHEMBL30782439 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL15390393 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL22365812 | 0.62 | — | — | |
| SCHEMBL8671265 | 0.56 | ALDH1A1 (0.31) | — | |
| SCHEMBL25350924 | 0.52 | TSHR (0.35) | — | |
| SCHEMBL10840182 | 0.51 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |