⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12948238 | 0.64 | ALDH1A1 (0.50) | — | |
| SCHEMBL12240487 | 0.64 | PSEN1 (0.46) | — | |
| SCHEMBL12946356 | 0.58 | EPHX1 (0.47) | — | |
| SCHEMBL13082705 | 0.57 | IDH1 (0.48) | — | |
| SCHEMBL13082700 | 0.57 | PSEN1 (0.46) | — | |
| SCHEMBL13953312 | 0.50 | BACE1 (0.86) | — | |
| SCHEMBL6646569 | 0.50 | KDM4E (0.66) | — | |
| SCHEMBL6646570 | 0.50 | KDM4E (0.66) | — | |
| SCHEMBL13168921 | 0.50 | KDM4E (0.66) | — | |
| SCHEMBL7768484 | 0.49 | MAOB (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 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 |