⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24122066 | 0.77 | ADRA2A (0.31) | — | |
| SCHEMBL18791471 | 0.76 | — | — | |
| SCHEMBL18637041 | 0.75 | ADRA2A (0.36) | — | |
| SCHEMBL18779073 | 0.71 | CCR1 (0.47) | — | |
| SCHEMBL18779072 | 0.68 | KDM4E (0.31) | — | |
| SCHEMBL10058360 | 0.68 | KCNH2 (0.32) | — | |
| SCHEMBL12197666 | 0.68 | CYP1A2 (0.33) | — | |
| SCHEMBL21737344 | 0.67 | CYP11B1 (0.31) | — | |
| SCHEMBL10925253 | 0.67 | NOS3 (0.35) | — | |
| SCHEMBL23175674 | 0.67 | — | — |
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-9732088-B2 | C2-carbocyclic iminothiazine dioxides as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |
| US-20170114065-A1 | C2-CARBOCYCLIC IMINOTHIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-04-27 | — | — | US | disclosed |