⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5151215 | 0.73 | — | — | |
| SCHEMBL2310225 | 0.73 | — | — | |
| SCHEMBL2310222 | 0.71 | — | — | |
| SCHEMBL21680244 | 0.71 | — | — | |
| SCHEMBL2430393 | 0.71 | — | — | |
| SCHEMBL9942584 | 0.71 | — | — | |
| SCHEMBL12724529 | 0.71 | — | — | |
| SCHEMBL11083228 | 0.71 | — | — | |
| SCHEMBL26365274 | 0.71 | — | — | |
| SCHEMBL7993719 | 0.71 | — | — |
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-106795147-A | Cyclopropyl fused thiazine-2-amine compounds as beta-secretase inhibitors and methods of use | 美国安进公司 | 2017-05-31 | — | — | CN | disclosed |