⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4460514 | 0.89 | ACHE (0.42) | — | |
| SCHEMBL4448629 | 0.77 | AOX1 (0.33) | — | |
| SCHEMBL4452122 | 0.74 | HIF1A (0.35) | — | |
| SCHEMBL4451698 | 0.70 | INPP5A (0.35) | — | |
| SCHEMBL4454788 | 0.70 | TSHR (0.48) | — | |
| SCHEMBL779830 | 0.70 | ACHE (0.41) | — | |
| SCHEMBL4449151 | 0.69 | ACHE (0.40) | — | |
| SCHEMBL4610748 | 0.69 | ACHE (0.40) | — | |
| SCHEMBL4611321 | 0.69 | ACHE (0.36) | — | |
| SCHEMBL9547908 | 0.69 | ACHE (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7612148-B2 | Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer | TSRC CORPORATION (TW) | 2009-11-03 | — | — | US | disclosed |
| US-20080146733-A1 | Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer | TSRC CORPORATION (TW) | 2008-06-19 | — | — | US | disclosed |