⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2072433 | 0.78 | — | — | |
| SCHEMBL2072473 | 0.78 | P2RY12 (0.30) | — | |
| SCHEMBL3668447 | 0.76 | — | — | |
| SCHEMBL9342999 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL3666294 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL1636261 | 0.69 | MMP1 (0.35) | — | |
| SCHEMBL15766925 | 0.68 | ACHE (0.36) | — | |
| SCHEMBL124930 | 0.65 | TSHR (0.42) | — | |
| SCHEMBL22455362 | 0.65 | TSHR (0.42) | — | |
| SCHEMBL9762735 | 0.64 | ALDH1A1 (0.43) | — |
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-2238111-B1 | 6-SUBSTITUTED-THIO-2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF -SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2013-01-16 | — | — | EP | disclosed |
| US-8076358-B2 | 6-substituted-thio-2-amino-quinoline derivatives useful as inhibitors of β-secretase (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2011-12-13 | — | — | US | disclosed |
| EP-2238111-A1 | 6-SUBSTITUTED-THIO-2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF -SECRETASE (BACE) | Janssen Pharmaceutica NV (BE) | 2010-10-13 | — | — | EP | disclosed |
| US-20090227627-A1 | 6-SUBSTITUTED-THIO-2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2009-09-10 | — | — | US | disclosed |
| WO-2009097278-A1 | 6-SUBSTITUTED-THIO-2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-08-06 | — | — | WO | disclosed |