⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL753951 | 0.78 | — | — | |
| Butane SCHEMBL6756371 | 0.78 | — | — | |
| SCHEMBL287731 | 0.78 | — | — | |
| Butane SCHEMBL4450147 | 0.76 | — | — | |
| Butane SCHEMBL28274012 | 0.74 | — | — | |
| Butane SCHEMBL2304316 | 0.74 | TSHR (0.33) | — | |
| Butane SCHEMBL968592 | 0.74 | — | — | |
| Bromide SCHEMBL25208276 | 0.72 | — | — | |
| Phosphine SCHEMBL5151300 | 0.72 | — | — | |
| SCHEMBL28889576 | 0.72 | — | — |
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 |