⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6562332 | 0.62 | — | — | |
| SCHEMBL2398119 | 0.55 | — | — | |
| SCHEMBL11133489 | 0.53 | — | — | |
| SCHEMBL10793630 | 0.50 | — | — | |
| SCHEMBL97582 | 0.47 | CA1 (0.52) | — | |
| SCHEMBL1050358 | 0.47 | CA1 (0.33) | — | |
| SCHEMBL258315 | 0.46 | ALDH1A1 (0.33) | — | |
| SCHEMBL954877 | 0.42 | — | — | |
| Benzene SCHEMBL271140 | 0.39 | — | — | |
| Methylene Chloride SCHEMBL7293016 | 0.39 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2406240-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2015-12-23 | — | — | EP | disclosed |