⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2173922 | 0.86 | — | — | |
| SCHEMBL2173735 | 0.86 | — | — | |
| SCHEMBL733125 | 0.86 | — | — | |
| SCHEMBL1247090 | 0.76 | — | — | |
| SCHEMBL10407853 | 0.75 | ACACB (0.32) | — | |
| SCHEMBL11415152 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL3048298 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL1813800 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL87479 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL2005417 | 0.74 | PRMT5 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| WO-2023210623-A1 | HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME | 株式会社エス・ディー・エス バイオテック | 2023-11-02 | — | — | WO | disclosed |