⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11687841 | 0.98 | ALDH1A1 (0.37) | — | |
| SCHEMBL326920 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL11612962 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL10385577 | 0.78 | — | — | |
| SCHEMBL7995698 | 0.78 | — | — | |
| SCHEMBL5323569 | 0.78 | — | — | |
| SCHEMBL4087560 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL4258920 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL27950 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL11758757 | 0.73 | ALDH1A1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0703216-B1 | Amidinophenol derivatives as protease inhibitors | ONO PHARMACEUTICAL CO (JP) | 1999-04-07 | — | — | EP | claimed |
| EP-0533244-B1 | Amide-substituted derivatives of spiroindanylcamphorsulfonyl oxytocin antagonists | MERCK & CO INC (US) | 1997-12-17 | — | — | EP | claimed |