⚠ 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 | 1.00 | — | — | |
| SCHEMBL7300943 | 0.90 | — | — | |
| SCHEMBL7382143 | 0.88 | — | — | |
| SCHEMBL7376804 | 0.88 | — | — | |
| SCHEMBL7376349 | 0.88 | — | — | |
| SCHEMBL7301128 | 0.78 | AVPR2 (0.84) | — | |
| SCHEMBL7302423 | 0.78 | AVPR2 (0.84) | — | |
| SCHEMBL7291930 | 0.77 | — | — | |
| SCHEMBL7291923 | 0.77 | — | — | |
| SCHEMBL7380874 | 0.76 | 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 1 patent. 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 |