⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27414006 | 1.00 | — | — | |
| SCHEMBL23131162 | 0.76 | — | — | |
| SCHEMBL16471355 | 0.76 | — | — | |
| SCHEMBL7020133 | 0.74 | — | — | |
| SCHEMBL13411819 | 0.74 | — | — | |
| SCHEMBL24754750 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL15903657 | 0.72 | — | — | |
| SCHEMBL4545536 | 0.72 | — | — | |
| SCHEMBL1438741 | 0.72 | — | — | |
| SCHEMBL23225479 | 0.72 | CYP2D6 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3797782-A1 | SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTIONS | Janssen BioPharma, Inc. (US) | 2021-03-31 | — | — | EP | disclosed |
| US-9045499-B2 | Heteroaryl-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds | PFIZER INC. (US) | 2015-06-02 | — | — | US | disclosed |
| US-9045499-B2 | Heteroaryl-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds | PFIZER INC. (US) | 2015-06-02 | — | — | US | disclosed |
| US-20140364426-A1 | Heteroaryl-Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds | PFIZER (US) | 2014-12-11 | — | — | US | disclosed |
| US-20140364426-A1 | Heteroaryl-Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds | PFIZER (US) | 2014-12-11 | — | — | US | disclosed |