⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14718267 | 0.92 | KCNN4 (0.32) | — | |
| SCHEMBL1660271 | 0.90 | SCN9A (0.30) | — | |
| SCHEMBL1661829 | 0.82 | KCNN4 (0.33) | — | |
| SCHEMBL14727831 | 0.81 | SCN9A (0.33) | — | |
| SCHEMBL14717904 | 0.79 | SCN9A (0.33) | — | |
| SCHEMBL1661602 | 0.78 | SCN9A (0.32) | — | |
| SCHEMBL1658780 | 0.77 | KCNN4 (0.36) | — | |
| SCHEMBL14727808 | 0.77 | MMP2 (0.33) | — | |
| SCHEMBL1658570 | 0.76 | MMP2 (0.31) | — | |
| SCHEMBL14727830 | 0.76 | CRHR1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8871796-B2 | Diaryl ether derivatives as notch sparing gamma secretase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-10-28 | — | — | US | claimed |
| US-20130053386-A1 | DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME LLC | 2013-02-28 | — | — | US | claimed |
| US-8871796-B2 | Diaryl ether derivatives as notch sparing gamma secretase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-10-28 | — | — | US | disclosed |
| US-20130053386-A1 | DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME LLC | 2013-02-28 | — | — | US | disclosed |