⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL181418 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27135944 | 0.84 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL4311085 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL28311133 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL23004092 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL82424 | 0.75 | — | — | |
| SCHEMBL28540394 | 0.75 | — | — | |
| SCHEMBL1999302 | 0.75 | — | — | |
| SCHEMBL653873 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL289810 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5250547-A | Potassium channel activators; 5-lipoxygenase inhibitors; muscle relaxants; bronchodilators | SYNTEX (U.S.A.) INC. (US) | 1993-10-05 | — | — | US | disclosed |
| EP-0529654-A1 | Benzopyran derivatives as potassium channel activators and 5-lipoxygenase inhibitors | SYNTEX (U.S.A.) INC. (US) | 1993-03-03 | — | — | EP | disclosed |