⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24469038 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL27364956 | 0.79 | — | — | |
| SCHEMBL24621695 | 0.77 | — | — | |
| SCHEMBL19841251 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL6755726 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL172743 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL19542918 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL24224716 | 0.74 | — | — | |
| SCHEMBL20243275 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL18025232 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2616513-B1 | CATALYSTS AND METHODS FOR POLYMER SYNTHESIS | SAUDI ARAMCO TECH CO (SA) | 2019-11-06 | — | — | EP | disclosed |