⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29387371 | 0.76 | TDP1 (0.36) | — | |
| SCHEMBL22869506 | 0.76 | TDP1 (0.36) | — | |
| SCHEMBL15633193 | 0.73 | — | — | |
| SCHEMBL22869333 | 0.65 | TDP1 (0.39) | — | |
| SCHEMBL30414618 | 0.65 | TDP1 (0.39) | — | |
| SCHEMBL22869366 | 0.65 | TDP1 (0.32) | — | |
| SCHEMBL31000180 | 0.64 | MAOA (0.33) | — | |
| SCHEMBL23260088 | 0.63 | — | — | |
| SCHEMBL22869264 | 0.63 | TDP1 (0.36) | — | |
| SCHEMBL8833647 | 0.61 | NPC1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014058747-A1 | 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-04-17 | — | — | WO | disclosed |