⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16089904 | 0.84 | — | — | |
| SCHEMBL4954929 | 0.71 | — | — | |
| SCHEMBL14127396 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL20437598 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL12289585 | 0.70 | GBA1 (0.50) | — | |
| SCHEMBL8994285 | 0.70 | GBA1 (0.50) | — | |
| SCHEMBL13213372 | 0.70 | GBA1 (0.50) | — | |
| SCHEMBL14409033 | 0.68 | GBA1 (0.56) | — | |
| SCHEMBL12347589 | 0.68 | GBA1 (0.56) | — | |
| SCHEMBL4943025 | 0.66 | MEN1 (0.39) | — |
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-4988703-A | Viricides of hydroxyethylcyclopropylguanine | ABBOTT LABORATORIES (US) | 1991-01-29 | — | — | US | disclosed |