⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1659910 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL14727744 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL6902976 | 0.82 | POLB (0.31) | — | |
| SCHEMBL14730952 | 0.81 | PKM (0.33) | — | |
| SCHEMBL14718241 | 0.80 | LMNA (0.34) | — | |
| SCHEMBL14717715 | 0.80 | PTGS2 (0.34) | — | |
| SCHEMBL14718410 | 0.80 | BRD4 (0.31) | — | |
| SCHEMBL1659951 | 0.80 | SCN9A (0.33) | — | |
| SCHEMBL14731005 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL1661812 | 0.79 | CETP (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2488031-A1 | DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011046774-A1 | DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-04-21 | — | — | WO | disclosed |