⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9268825 | 0.90 | — | — | |
| SCHEMBL9349250 | 0.90 | ATP4A (0.75) | — | |
| SCHEMBL9273781 | 0.89 | — | — | |
| SCHEMBL8188049 | 0.87 | — | — | |
| SCHEMBL8179991 | 0.87 | — | — | |
| SCHEMBL9158359 | 0.87 | — | — | |
| SCHEMBL9266013 | 0.86 | — | — | |
| SCHEMBL8187650 | 0.86 | — | — | |
| SCHEMBL9350500 | 0.85 | ATP4A (0.76) | — | |
| SCHEMBL9160371 | 0.83 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0416749-B1 | Substituted 4-aminoquinolines | SMITHKLINE BEECHAM INTERCREDIT (NL) | 1994-08-17 | — | — | EP | claimed |
| US-5082841-A | Enzyme inhibitor | SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) | 1992-01-21 | — | — | US | claimed |
| EP-0416749-B1 | Substituted 4-aminoquinolines | SMITHKLINE BEECHAM INTERCREDIT (NL) | 1994-08-17 | — | — | EP | disclosed |
| US-5082841-A | Enzyme inhibitor | SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) | 1992-01-21 | — | — | US | disclosed |
| EP-0416749-A2 | Substituted 4-aminoquinolines | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1991-03-13 | — | — | EP | disclosed |