⚠ 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 SCHEMBL2804316 | 0.83 | — | — | |
| SCHEMBL8211118 | 0.82 | — | — | |
| SCHEMBL2873614 | 0.79 | — | — | |
| SCHEMBL2863860 | 0.79 | MEN1 (0.33) | — | |
| SCHEMBL3148718 | 0.78 | — | — | |
| SCHEMBL2860626 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4323455 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL5086242 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6656066 | 0.69 | PNMT (0.36) | — | |
| Hydrochloric Acid SCHEMBL2143358 | 0.68 | — | — |
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-1283223-B1 | Use of a mixture of two metallocene regioisomers as catalyst component for preparing bimodal isotactic polyolefins | TOTAL PETROCHEMICALS RES FELUY (BE) | 2008-04-09 | — | — | EP | claimed |