⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18779072 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL18791474 | 0.74 | — | — | |
| SCHEMBL27010774 | 0.73 | — | — | |
| SCHEMBL13394546 | 0.72 | CCR1 (0.33) | — | |
| SCHEMBL24121656 | 0.72 | CCR1 (0.33) | — | |
| SCHEMBL22303825 | 0.72 | MAPT (0.38) | — | |
| SCHEMBL19759428 | 0.72 | SLC40A1 (0.38) | — | |
| SCHEMBL19297147 | 0.68 | — | — | |
| SCHEMBL12032781 | 0.66 | SLC40A1 (0.37) | — | |
| SCHEMBL23178631 | 0.65 | — | — |
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-9732088-B2 | C2-carbocyclic iminothiazine dioxides as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |