⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7332161 | 0.90 | — | — | |
| SCHEMBL7332168 | 0.90 | — | — | |
| SCHEMBL7376804 | 0.89 | — | — | |
| SCHEMBL7376349 | 0.89 | — | — | |
| SCHEMBL7382143 | 0.89 | — | — | |
| SCHEMBL7331274 | 0.80 | — | — | |
| SCHEMBL7291732 | 0.80 | — | — | |
| SCHEMBL7291923 | 0.78 | — | — | |
| SCHEMBL7291930 | 0.78 | — | — | |
| SCHEMBL7380874 | 0.77 | AVPR2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0533243-B1 | Hydantoin and succinimide-substituted spiroindanylcamphorsulfonyl derivatives | MERCK & CO INC (US) | 1997-12-17 | — | — | EP | disclosed |
| US-5693643-A | FOR PREVENTING PREMATAURE LABOR, STOPPING LABOR BEFORE A CESARIAN DELIVERY AND TREATING DYSMENORRHEA | MERCK & CO., INC. (US) | 1997-12-02 | — | — | US | disclosed |
| WO-1994014438-A1 | HYDANTOIN AND SUCCINIMIDE-SUBSTITUTED DERIVATIVES OF SPIROINDANYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO., INC. (US) | 1994-07-07 | — | — | WO | disclosed |
| EP-0533243-A1 | Hydantoin and succinimide-substituted spiroindanylcamphorsulfonyl derivatives | MERCK & CO. INC. (US) | 1993-03-24 | — | — | EP | disclosed |
| EP-0486280-A2 | Piperidinylcamphorsulfonyl oxytocin antagonists | MERCK & CO. INC. (US) | 1992-05-20 | — | — | EP | disclosed |