⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8737296 | 0.92 | PSEN1 (0.32) | — | |
| SCHEMBL8737691 | 0.85 | — | — | |
| SCHEMBL8737630 | 0.78 | PSEN1 (0.40) | — | |
| SCHEMBL8737293 | 0.78 | PSEN1 (0.32) | — | |
| SCHEMBL8737280 | 0.77 | PSEN1 (0.32) | — | |
| SCHEMBL8737157 | 0.77 | PSEN1 (0.34) | — | |
| SCHEMBL8737282 | 0.76 | — | — | |
| SCHEMBL8737174 | 0.76 | PSEN1 (0.33) | — | |
| SCHEMBL8737189 | 0.75 | PSEN1 (0.33) | — | |
| SCHEMBL13362163 | 0.73 | PSEN1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120129846-A1 | GAMMA SECRETASE MODULATORS | Merck, Sharp & Dohme, Corp. | 2012-05-24 | — | — | US | disclosed |