⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2879373 | 0.79 | — | — | |
| SCHEMBL23114225 | 0.69 | — | — | |
| SCHEMBL4633190 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL2879830 | 0.67 | — | — | |
| SCHEMBL9012603 | 0.67 | — | — | |
| SCHEMBL10634289 | 0.65 | — | — | |
| SCHEMBL454569 | 0.63 | — | — | |
| SCHEMBL49925 | 0.61 | — | — | |
| SCHEMBL2490667 | 0.59 | — | — | |
| SCHEMBL27530966 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7700694-B2 | Catalyst composition and method for hydrogenating a polymer having a conjugated diene | TSRC CORPORATION (TW) | 2010-04-20 | — | — | US | claimed |
| US-20070254802-A1 | Catalyst composition and method for hydrogenating a polymer having a conjugated diene | TSRC CORPORATION (TW) | 2007-11-01 | — | — | US | claimed |
| US-7700694-B2 | Catalyst composition and method for hydrogenating a polymer having a conjugated diene | TSRC CORPORATION (TW) | 2010-04-20 | — | — | US | disclosed |
| US-20070254802-A1 | Catalyst composition and method for hydrogenating a polymer having a conjugated diene | TSRC CORPORATION (TW) | 2007-11-01 | — | — | US | disclosed |