⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6877546 | 1.00 | — | — | |
| SCHEMBL5970051 | 0.69 | — | — | |
| SCHEMBL599067 | 0.69 | TSHR (0.40) | — | |
| SCHEMBL5769134 | 0.69 | — | — | |
| SCHEMBL13588547 | 0.67 | TSHR (0.41) | — | |
| SCHEMBL6877549 | 0.67 | — | — | |
| SCHEMBL14443183 | 0.67 | TSHR (0.41) | — | |
| SCHEMBL7956491 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL1980969 | 0.67 | TSHR (0.41) | — | |
| SCHEMBL28495250 | 0.67 | — | — |
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-2254918-A1 | 1-BUTENE TERPOLYMERS | Basell Poliolefine Italia S.R.L. (IT) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009115402-A1 | 1-BUTENE TERPOLYMERS | BASELL POLIOLEFINE ITALIA S.R.L. (IT) | 2009-09-24 | — | — | WO | disclosed |