⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL175573 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL7486373 | 0.77 | — | — | |
| SCHEMBL2283357 | 0.72 | — | — | |
| SCHEMBL4560663 | 0.72 | — | — | |
| SCHEMBL2467227 | 0.70 | — | — | |
| SCHEMBL31385 | 0.70 | — | — | |
| SCHEMBL4618922 | 0.70 | — | — | |
| SCHEMBL8777745 | 0.70 | — | — | |
| SCHEMBL700524 | 0.70 | — | — | |
| SCHEMBL10554896 | 0.67 | ALDH1A1 (0.53) | — |
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 |