⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7484010 | 0.66 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL7036010 | 0.66 | — | — | |
| SCHEMBL2754289 | 0.63 | MAPT (0.33) | — | |
| Methane SCHEMBL27830991 | 0.62 | — | — | |
| Methane SCHEMBL28028970 | 0.61 | — | — | |
| SCHEMBL1978353 | 0.60 | — | — | |
| SCHEMBL2473138 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL6701669 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL1846220 | 0.58 | — | — | |
| SCHEMBL2088398 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0533244-B1 | Amide-substituted derivatives of spiroindanylcamphorsulfonyl oxytocin antagonists | MERCK & CO INC (US) | 1997-12-17 | — | — | EP | claimed |