⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7388572 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL7294722 | 0.86 | — | — | |
| SCHEMBL7430345 | 0.85 | — | — | |
| SCHEMBL7315105 | 0.85 | OXTR (0.81) | — | |
| SCHEMBL7286362 | 0.85 | OXTR (0.81) | — | |
| SCHEMBL7301043 | 0.84 | — | — | |
| SCHEMBL7296298 | 0.82 | — | — | |
| SCHEMBL7305808 | 0.82 | OXTR (0.62) | — | |
| SCHEMBL7278379 | 0.81 | OXTR (0.68) | — | |
| SCHEMBL8845619 | 0.81 | — | — |
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-0729472-A4 | PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO INC (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0729472-A1 | PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO. INC. (US) | 1996-09-04 | — | — | EP | disclosed |
| WO-1995014025-A1 | PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO., INC. (US) | 1995-05-26 | — | — | WO | disclosed |