⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2803772 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL195896 | 0.76 | GRIA1 (0.30) | — | |
| SCHEMBL10570553 | 0.76 | CA1 (0.52) | — | |
| SCHEMBL756834 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL3092327 | 0.74 | — | — | |
| SCHEMBL720606 | 0.74 | PPARA (0.48) | — | |
| SCHEMBL27500304 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL19687777 | 0.73 | — | — | |
| Hydrogen Sulfide SCHEMBL28249500 | 0.73 | TSHR (0.34) | — | |
| Fluoride SCHEMBL28144875 | 0.73 | TSHR (0.34) | — |
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-2178842-A2 | 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE | Abbott GmbH & Co. KG (DE) | 2010-04-28 | — | — | EP | claimed |
| WO-2009024611-A2 | 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE | ABBOTT GMBH & CO. KG (DE) | 2009-02-26 | — | — | WO | claimed |