⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28115934 | 0.80 | CYP2C19 (0.33) | — | |
| SCHEMBL28092474 | 0.75 | — | — | |
| SCHEMBL28951039 | 0.72 | MAPK14 (0.30) | — | |
| SCHEMBL28092253 | 0.71 | SIRT6 (0.43) | — | |
| SCHEMBL28133716 | 0.71 | KCNH2 (0.30) | — | |
| SCHEMBL27906095 | 0.71 | TRPV4 (0.31) | — | |
| SCHEMBL27889562 | 0.70 | SIRT6 (0.37) | — | |
| SCHEMBL28007062 | 0.70 | — | — | |
| SCHEMBL28007036 | 0.69 | KMT2A (0.44) | — | |
| SCHEMBL322915 | 0.68 | KDM4E (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103328486-B | Fused aminodihydrothiazine derivatives useful as bace inhibitors | 卫材R&D管理有限公司 | 2016-08-17 | — | — | CN | disclosed |