⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL163916 | 0.79 | DRD1 (0.37) | — | |
| SCHEMBL900768 | 0.69 | DRD1 (0.33) | — | |
| SCHEMBL5318636 | 0.66 | MRGPRX4 (0.44) | — | |
| SCHEMBL17046312 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL9529296 | 0.65 | — | — | |
| SCHEMBL27774271 | 0.65 | ACACB (0.40) | — | |
| SCHEMBL145799 | 0.64 | DRD1 (0.42) | — | |
| SCHEMBL17134011 | 0.64 | — | — | |
| SCHEMBL17134276 | 0.64 | — | — | |
| SCHEMBL900273 | 0.63 | LMNA (0.34) | — |
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-0796250-A1 | PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GmbH (DE) | 1997-09-24 | — | — | EP | disclosed |
| WO-1997013758-A1 | PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-04-17 | — | — | WO | disclosed |