⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7382245 | 0.83 | — | — | |
| SCHEMBL7331274 | 0.81 | — | — | |
| SCHEMBL7291732 | 0.81 | — | — | |
| SCHEMBL7298093 | 0.79 | — | — | |
| SCHEMBL7298101 | 0.79 | — | — | |
| SCHEMBL7336810 | 0.77 | — | — | |
| SCHEMBL7322826 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL7294722 | 0.75 | — | — | |
| SCHEMBL9603208 | 0.75 | — | — | |
| SCHEMBL7322452 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0533244-B1 | Amide-substituted derivatives of spiroindanylcamphorsulfonyl oxytocin antagonists | MERCK & CO INC (US) | 1997-12-17 | — | — | EP | disclosed |
| US-5204349-A | Treatment of preterm labor, dysmenorrhea and for stoppage of labor prior to cesarian delivery | MERCK & CO., INC. (US) | 1993-04-20 | — | — | US | disclosed |
| EP-0533244-A1 | Amide-substituted derivatives of spiroindanylcamphorsulfonyl oxytocin antagonists | MERCK & CO. INC. (US) | 1993-03-24 | — | — | EP | disclosed |