⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2497457 | 0.67 | — | — | |
| SCHEMBL2497459 | 0.67 | — | — | |
| SCHEMBL185771 | 0.67 | — | — | |
| Ethylene SCHEMBL8914431 | 0.60 | — | — | |
| SCHEMBL24928829 | 0.59 | ALDH1A1 (0.33) | — | |
| SCHEMBL67866 | 0.59 | — | — | |
| SCHEMBL7760467 | 0.59 | ALDH1A1 (0.33) | — | |
| SCHEMBL698339 | 0.59 | — | — | |
| SCHEMBL6057015 | 0.59 | ALDH1A1 (0.33) | — | |
| SCHEMBL6842946 | 0.58 | — | — |
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-4997966-A | Chromatography, chemical condensation | CIBA-GEIGY CORPORATION (US) | 1991-03-05 | — | — | US | disclosed |