⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4451816 | 0.94 | HTR2A (0.30) | — | |
| SCHEMBL4451710 | 0.89 | ALOX5 (0.32) | — | |
| SCHEMBL4454173 | 0.83 | PTGS2 (0.33) | — | |
| SCHEMBL4450169 | 0.82 | TAAR1 (0.34) | — | |
| SCHEMBL4452341 | 0.77 | ALOX5 (0.33) | — | |
| SCHEMBL4452192 | 0.76 | TAAR1 (0.36) | — | |
| SCHEMBL4460825 | 0.75 | ELANE (0.32) | — | |
| SCHEMBL4458137 | 0.74 | LTB4R (0.33) | — | |
| SCHEMBL4461981 | 0.72 | HPGD (0.38) | — | |
| SCHEMBL4458101 | 0.72 | LTB4R (0.34) | — |
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 |