⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17389233 | 1.00 | — | — | |
| SCHEMBL15820805 | 0.82 | — | — | |
| SCHEMBL504587 | 0.78 | — | — | |
| SCHEMBL15769362 | 0.77 | — | — | |
| SCHEMBL15769360 | 0.77 | — | — | |
| SCHEMBL17794184 | 0.77 | — | — | |
| SCHEMBL17414707 | 0.76 | — | — | |
| SCHEMBL15820985 | 0.73 | — | — | |
| SCHEMBL15821019 | 0.73 | — | — | |
| SCHEMBL17389265 | 0.72 | — | — |
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-9403846-B2 | Carbocyclic- and heterocyclic-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds | PFIZER INC. (US) | 2016-08-02 | — | — | US | disclosed |
| US-20160002264-A1 | Carbocyclic- And Heterocyclic-Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds | PFIZER INC. (US) | 2016-01-07 | — | — | US | disclosed |