⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27548532 | 0.83 | — | — | |
| SCHEMBL28180755 | 0.81 | FDPS (0.41) | — | |
| SCHEMBL308585 | 0.81 | — | — | |
| SCHEMBL15844299 | 0.79 | FDPS (0.43) | — | |
| SCHEMBL16637518 | 0.79 | — | — | |
| SCHEMBL2820292 | 0.78 | ALDH1A1 (0.41) | — | |
| Phosphine SCHEMBL27893454 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL1613219 | 0.78 | ALDH1A1 (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL2097227 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL1450906 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103391928-B | 1, 4-oxaza as BACE1 and/or BACE2 inhibitors | HOFFMAN-LA ROCHE LTD. (CH) | 2015-11-25 | — | — | CN | disclosed |
| CN-102958922-B | 2,5,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-3-base amine or 2,3,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-5-ylamine compounds | HOFFMAN-LA ROCHE LTD. (CH) | 2015-09-30 | — | — | CN | disclosed |