⚠ 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 SCHEMBL5069352 | 0.83 | — | — | |
| SCHEMBL5083243 | 0.71 | — | — | |
| SCHEMBL6139097 | 0.66 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6004259 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL8458988 | 0.65 | GPR3 (0.30) | — | |
| SCHEMBL7648722 | 0.65 | — | — | |
| SCHEMBL5089538 | 0.64 | — | — | |
| SCHEMBL947238 | 0.64 | — | — | |
| Chloromethane SCHEMBL8147940 | 0.63 | GPR3 (0.46) | — | |
| SCHEMBL7202982 | 0.63 | — | — |
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 |