⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23829229 | 0.76 | CTSK (0.36) | — | |
| SCHEMBL23829414 | 0.75 | MEN1 (0.32) | — | |
| SCHEMBL23829336 | 0.70 | PDE5A (0.50) | — | |
| SCHEMBL23829230 | 0.70 | PKM (0.36) | — | |
| SCHEMBL23829177 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL15780072 | 0.65 | THRA (0.39) | — | |
| SCHEMBL23122495 | 0.56 | PARP1 (0.39) | — | |
| SCHEMBL8623475 | 0.56 | — | — | |
| SCHEMBL5283765 | 0.56 | — | — | |
| SCHEMBL19504918 | 0.55 | CYP11B2 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210292347-A1 | DIHETEROCYCLIC TRIAZINONE NUCLEOSIDE ANALOGS AND THEIR USE FOR MEDICATION | XU LIFENG (US) | 2021-09-23 | — | — | US | disclosed |