⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7295264 | 0.85 | — | — | |
| SCHEMBL7336810 | 0.83 | — | — | |
| SCHEMBL9603208 | 0.83 | — | — | |
| SCHEMBL7382245 | 0.80 | — | — | |
| SCHEMBL7322452 | 0.80 | — | — | |
| L-162425 SCHEMBL30465106 | 0.80 | OXTR (1.00) | — | |
| Hydrochloric Acid SCHEMBL7326106 | 0.80 | OXTR (0.72) | — | |
| Hydrochloric Acid SCHEMBL7294722 | 0.80 | — | — | |
| SCHEMBL7430345 | 0.79 | — | — | |
| SCHEMBL7392328 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995014025-A1 | PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO., INC. (US) | 1995-05-26 | — | — | WO | disclosed |
| EP-0486280-A2 | Piperidinylcamphorsulfonyl oxytocin antagonists | MERCK & CO. INC. (US) | 1992-05-20 | — | — | EP | disclosed |