⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7806650 | 0.93 | — | — | |
| SCHEMBL3411467 | 0.77 | MAPK1 (0.48) | — | |
| SCHEMBL10815440 | 0.73 | OPRK1 (0.46) | — | |
| SCHEMBL7806712 | 0.72 | KMT2A (0.48) | — | |
| SCHEMBL10815843 | 0.70 | OPRK1 (0.51) | — | |
| SCHEMBL3413589 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL2957850 | 0.70 | MAPK1 (0.54) | — | |
| SCHEMBL3415290 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL2957846 | 0.68 | MAPK1 (0.52) | — | |
| SCHEMBL5965398 | 0.68 | AR (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8183380-B2 | 2-aminoquinolines | HOFFMANN-LA ROCHE INC. (US) | 2012-05-22 | — | — | US | disclosed |
| EP-2262789-A1 | 2-AMINOQUINOLINES | F. Hoffmann-La Roche AG (CH) | 2010-12-22 | — | — | EP | disclosed |
| WO-2009109477-A1 | 2-AMINOQUINOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-11 | — | — | WO | disclosed |
| US-20090227570-A1 | 2-AMINOQUINOLINES | HOFFMANN-LA ROCHE, INC. | 2009-09-10 | — | — | US | disclosed |