⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27461427 | 0.83 | HTR7 (0.37) | — | |
| SCHEMBL27411490 | 0.80 | TUBB4A (0.44) | — | |
| SCHEMBL8633212 | 0.76 | — | — | |
| SCHEMBL27410712 | 0.74 | GFER (0.48) | — | |
| SCHEMBL27409991 | 0.73 | TUBB4A (0.56) | — | |
| SCHEMBL8112480 | 0.72 | — | — | |
| SCHEMBL8111919 | 0.72 | — | — | |
| SCHEMBL4319085 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL8111780 | 0.70 | ACHE (0.53) | — | |
| Bromide SCHEMBL8117239 | 0.69 | ACHE (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1091741-A | Tartronic acid and acetal ether thereof and O-ester | DOMPE FARMACEUTICI SPA (IT) | 1994-09-07 | — | — | CN | disclosed |