⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28748343 | 0.68 | — | — | |
| SCHEMBL493616 | 0.65 | TRPA1 (0.30) | — | |
| SCHEMBL348197 | 0.64 | — | — | |
| SCHEMBL2937188 | 0.64 | ACHE (0.36) | — | |
| SCHEMBL6335973 | 0.63 | — | — | |
| SCHEMBL5622867 | 0.63 | — | — | |
| Water SCHEMBL19745732 | 0.62 | — | — | |
| Water SCHEMBL19744946 | 0.62 | — | — | |
| SCHEMBL10769983 | 0.60 | GPR84 (0.31) | — | |
| SCHEMBL1449552 | 0.59 | TRPA1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112204035-A | Substituted 3,4,12,12 a-tetrahydro-1 n1- [1,4] oxazino [3,4-c ] pyrido [2,1-f ] [1,2,4] triazine-6, 8-diones, pharmaceutical compositions, methods of production and uses thereof | 亚历山大·瓦西里耶维奇·伊瓦切恩科 | 2021-01-08 | — | — | CN | claimed |
| WO-2020226532-A1 | SUBSTITUTED 3,4,12,12A-TETRAHYDRO-1H-[1,4]OXAZINO[3,4-C]PYRIDO[2,1-F][1,2,4]TRIAZINE-6,8-DIONE, PHARMACEUTICAL COMPOSITION, AND METHODS FOR PREPARING AND USING SAME | ИВАЩЕНКО, Александр Васильевич | 2020-11-12 | — | — | WO | disclosed |