⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL773647 | 1.00 | — | — | |
| SCHEMBL241421 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL23357219 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6782822 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1431618 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6778650 | 0.97 | — | — | |
| SCHEMBL10503382 | 0.86 | ALDH1A1 (0.41) | — | |
| SCHEMBL4074689 | 0.80 | — | — | |
| Acrylic Acid SCHEMBL28370789 | 0.76 | LMNA (0.42) | — | |
| Methacrylic Acid SCHEMBL28370113 | 0.76 | CHRNB2 (0.37) | — |
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-0656353-B1 | Aminochinoline derivates useful in the treatment of malaria | HOFFMANN LA ROCHE (CH) | 1998-06-03 | — | — | EP | disclosed |
| EP-0656353-A1 | Aminochinoline derivates useful in the treatment of malaria | F. HOFFMANN-LA ROCHE AG (CH) | 1995-06-07 | — | — | EP | disclosed |