⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL125430 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL7622194 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL31438750 | 0.90 | — | — | |
| SCHEMBL27360424 | 0.90 | — | — | |
| SCHEMBL22164171 | 0.90 | — | — | |
| SCHEMBL28115070 | 0.90 | — | — | |
| Ethylene SCHEMBL3465218 | 0.86 | — | — | |
| SCHEMBL4427677 | 0.86 | — | — | |
| SCHEMBL9715708 | 0.86 | — | — | |
| SCHEMBL11874796 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0201962-B1 | IMPROVED PROCESS FOR THE POLYMERIZATION OR COPOLYMERIZATION OF BUTADIENE | ENICHEM ELASTOMERI S.p.A. (IT) | 1991-09-04 | — | — | EP | disclosed |
| EP-0201962-A1 | Improved process for the polymerization or copolymerization of butadiene | ENICHEM ELASTOMERI S.p.A. (IT) | 1986-11-20 | — | — | EP | disclosed |