⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15743183 | 0.77 | MAT2A (0.37) | — | |
| SCHEMBL9142256 | 0.70 | ATAD2 (0.32) | — | |
| SCHEMBL8592800 | 0.66 | HSD17B10 (0.32) | — | |
| SCHEMBL10402389 | 0.65 | — | — | |
| SCHEMBL4016272 | 0.64 | — | — | |
| SCHEMBL1896687 | 0.62 | MAT2A (0.37) | — | |
| SCHEMBL27224003 | 0.62 | DPYD (0.44) | — | |
| SCHEMBL5694245 | 0.62 | LMNA (0.37) | — | |
| SCHEMBL5694243 | 0.62 | LMNA (0.37) | — | |
| Thymine SCHEMBL4152636 | 0.61 | — | — |
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-6194397-B1 | ENZYME INHIBITORS OF ACETYLCHOLINESTERASE AND BUTYRYLCHOLINESTERASE; INCREASED HEPATOPROTECTIVE AND ANTIENZYME ACTIVITIES; N'-SUBSTITUTED PHOSPHONOALKYL-, PHOSPHONO- OR THIOPHOSPHONOCYTISINES | VITIK ANDREJ ZINOVYEVICH (KR) | 2001-02-27 | — | — | US | disclosed |