⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5013623 | 0.80 | — | — | |
| SCHEMBL15006306 | 0.79 | — | — | |
| SCHEMBL13602623 | 0.78 | — | — | |
| SCHEMBL1596910 | 0.77 | TRPV1 (0.30) | — | |
| SCHEMBL8201801 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL961927 | 0.72 | — | — | |
| SCHEMBL10832794 | 0.72 | MAPK13 (0.47) | — | |
| SCHEMBL13566384 | 0.71 | KCNH2 (0.39) | — | |
| SCHEMBL7996431 | 0.70 | — | — | |
| SCHEMBL4982420 | 0.70 | — | — |
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-2935256-A1 | 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | Bristol-Myers Squibb Company (US) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014098831-A1 | 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-06-26 | — | — | WO | disclosed |