⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15478295 | 0.76 | — | — | |
| SCHEMBL20470939 | 0.72 | KCNH2 (0.37) | — | |
| SCHEMBL18478408 | 0.71 | CYP1A2 (0.41) | — | |
| SCHEMBL8313377 | 0.71 | CYP1A2 (0.34) | — | |
| SCHEMBL8313298 | 0.69 | KMT2A (0.32) | — | |
| SCHEMBL5684095 | 0.69 | — | — | |
| SCHEMBL1923494 | 0.69 | — | — | |
| SCHEMBL31742514 | 0.69 | — | — | |
| SCHEMBL21189786 | 0.68 | GRM5 (0.50) | — | |
| SCHEMBL82304 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10246429-B2 | Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use | AMGEN INC. (US) | 2019-04-02 | — | — | US | disclosed |
| US-20180222876-A1 | VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE | AMGEN INC. (US) | 2018-08-09 | — | — | US | disclosed |