⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7865928 | 0.92 | — | — | |
| SCHEMBL10902897 | 0.79 | — | — | |
| SCHEMBL1679480 | 0.79 | AKR1C3 (0.44) | — | |
| SCHEMBL6136900 | 0.79 | AKR1C3 (0.44) | — | |
| SCHEMBL8956732 | 0.74 | AKR1C3 (0.39) | — | |
| SCHEMBL31749555 | 0.73 | — | — | |
| SCHEMBL8930023 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL25075675 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL5715519 | 0.69 | — | — | |
| SCHEMBL10774883 | 0.69 | — | — |
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-0919574-B1 | Polymerization catalyst, process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | UBE INDUSTRIES (JP) | 2004-02-11 | — | — | EP | disclosed |