⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13273388 | 0.94 | — | — | |
| SCHEMBL7886249 | 0.94 | — | — | |
| SCHEMBL78266 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL10525283 | 0.91 | — | — | |
| SCHEMBL762989 | 0.85 | — | — | |
| SCHEMBL17066769 | 0.85 | — | — | |
| SCHEMBL12601104 | 0.85 | — | — | |
| Tetrahydrothiophene SCHEMBL11668788 | 0.83 | NOS2 (0.30) | — | |
| SCHEMBL14268139 | 0.82 | — | — | |
| SCHEMBL10879275 | 0.82 | CA1 (0.33) | — |
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-4507512-A | PRETREATED HYDROGEN-TYPE ZEOLITE CATALYST AND SOLVENT; CATALYST SELECTIVITY; ALCOHOLS | TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) | 1985-03-26 | — | — | US | disclosed |