⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6124698 | 0.96 | CYP2C19 (0.43) | — | |
| SCHEMBL20958575 | 0.89 | — | — | |
| SCHEMBL31336435 | 0.79 | CYP2C19 (0.44) | — | |
| SCHEMBL22213481 | 0.78 | CYP2C19 (0.43) | — | |
| SCHEMBL30832481 | 0.78 | MEN1 (0.50) | — | |
| SCHEMBL6515271 | 0.78 | MEN1 (0.50) | — | |
| SCHEMBL630728 | 0.77 | MEN1 (0.47) | — | |
| SCHEMBL28710196 | 0.77 | MEN1 (0.47) | — | |
| SCHEMBL317040 | 0.77 | MEN1 (0.47) | — | |
| SCHEMBL6205095 | 0.77 | MEN1 (0.47) | — |
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-8487099-B2 | Gamma secretase modulators | MERCK SHARP & DOHME CORP. (US) | 2013-07-16 | — | — | US | disclosed |
| US-20120107328-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME CORP. | 2012-05-03 | — | — | US | disclosed |