⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL704084 | 0.78 | DNM1 (0.35) | — | |
| SCHEMBL28411831 | 0.77 | — | — | |
| SCHEMBL337042 | 0.75 | — | — | |
| SCHEMBL3482247 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL11412064 | 0.71 | NFKB1 (0.35) | — | |
| SCHEMBL22728322 | 0.68 | — | — | |
| SCHEMBL442661 | 0.68 | — | — | |
| SCHEMBL3481742 | 0.68 | OPRM1 (0.39) | — | |
| SCHEMBL3808162 | 0.67 | — | — | |
| SCHEMBL11128158 | 0.67 | GABRR1 (0.33) | — |
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-20070003492-A1 | Porous silica having substance carried thereon | KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) | 2007-01-04 | — | — | US | disclosed |
| EP-1702886-A1 | POROUS SILICA HAVING SUBSTANCE CARRIED THEREON | Taiyo Kagaku Co., Ltd. (JP) | 2006-09-20 | — | — | EP | disclosed |