⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10008524 | 0.87 | ALDH1A1 (0.40) | — | |
| SCHEMBL1958756 | 0.81 | ALDH1A1 (1.00) | — | |
| SCHEMBL3673 | 0.81 | — | — | |
| SCHEMBL1332089 | 0.81 | — | — | |
| SCHEMBL1216481 | 0.80 | — | — | |
| Formamide SCHEMBL10702304 | 0.79 | ALDH1A1 (0.72) | — | |
| SCHEMBL742181 | 0.78 | — | — | |
| SCHEMBL44777 | 0.78 | — | — | |
| Methane SCHEMBL1901030 | 0.78 | — | — | |
| Water SCHEMBL22362219 | 0.78 | — | — |
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-2016186963-A1 | OXABICYCLOHEPTANE PRODRUGS | LIXTE BIOTECHNOLOGY, INC. (US) | 2016-11-24 | — | — | WO | disclosed |