⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL11040682 | 0.91 | ALDH1A1 (0.33) | — | |
| Propane SCHEMBL9246294 | 0.89 | — | — | |
| Propane SCHEMBL10956924 | 0.89 | TSHR (0.43) | — | |
| Propane SCHEMBL286506 | 0.89 | — | — | |
| Propane SCHEMBL9248656 | 0.89 | TSHR (0.43) | — | |
| Propane SCHEMBL1021 | 0.89 | — | — | |
| Propane SCHEMBL5383086 | 0.80 | — | — | |
| Propane SCHEMBL11076973 | 0.80 | — | — | |
| Propane SCHEMBL9719556 | 0.80 | — | — | |
| Propane SCHEMBL107205 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1557433-B1 | Process for the preparation of polybutadiene with a low branching degree | VERSALIS SPA (IT) | 2013-02-13 | — | — | EP | disclosed |
| US-7030195-B2 | Process for the preparation of polybutadiene with a low branching degree | POLIMERI EUROPA S.P.A. (IT) | 2006-04-18 | — | — | US | disclosed |
| US-20050182213-A1 | Process for the preparation of polybutadiene with a low branching degree | POLIMERI EUROPA S.P.A. (IT) | 2005-08-18 | — | — | US | disclosed |
| EP-1557433-A1 | Process for the preparation of polybutadiene with a low branching degree | Polimeri Europa S.p.A. (IT) | 2005-07-27 | — | — | EP | disclosed |