⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6210024 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL6211542 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7083300 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7083298 | 0.69 | — | — | |
| SCHEMBL6208439 | 0.68 | — | — | |
| SCHEMBL6208437 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL6209592 | 0.67 | — | — | |
| SCHEMBL16411361 | 0.65 | — | — | |
| SCHEMBL6236338 | 0.64 | — | — | |
| SCHEMBL6236334 | 0.61 | ALDH1A1 (0.31) | — |
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-0848022-B1 | Production of Ethylene/Butene copolymers with a single metallocene catalyst and a single monomer | TOTAL PETROCHEMICALS RES FELUY (BE) | 2005-03-02 | — | — | EP | claimed |