⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27831265 | 0.76 | CYP3A4 (0.30) | — | |
| SCHEMBL2905442 | 0.76 | CYP3A4 (0.30) | — | |
| SCHEMBL970773 | 0.74 | CA12 (0.36) | — | |
| SCHEMBL3743645 | 0.73 | HPGD (0.40) | — | |
| SCHEMBL970849 | 0.73 | — | — | |
| SCHEMBL4891377 | 0.70 | SLC6A3 (0.32) | — | |
| SCHEMBL2175005 | 0.70 | — | — | |
| SCHEMBL7205690 | 0.69 | CA1 (0.46) | — | |
| SCHEMBL18662364 | 0.69 | — | — | |
| SCHEMBL5387472 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7973047-B2 | Beta-Secretase modulators and methods of use | AMGEN INC. (US) | 2011-07-05 | — | — | US | disclosed |
| US-20100222338-A1 | BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. | 2010-09-02 | — | — | US | disclosed |