⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20469354 | 0.74 | HDAC8 (0.31) | — | |
| SCHEMBL10220196 | 0.74 | CHEK1 (0.34) | — | |
| SCHEMBL824021 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL20469371 | 0.73 | CYP1A2 (0.36) | — | |
| SCHEMBL23627444 | 0.72 | NOS3 (0.31) | — | |
| SCHEMBL20469343 | 0.72 | KMT2A (0.37) | — | |
| SCHEMBL4637898 | 0.69 | GRM5 (0.49) | — | |
| SCHEMBL15903111 | 0.69 | SIRT6 (0.38) | — | |
| SCHEMBL3958689 | 0.68 | CCR1 (0.43) | — | |
| SCHEMBL31398410 | 0.68 | KCNJ1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |