⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL706821 | 0.88 | — | — | |
| SCHEMBL4275889 | 0.87 | — | — | |
| SCHEMBL705858 | 0.83 | — | — | |
| SCHEMBL705903 | 0.83 | — | — | |
| SCHEMBL4884052 | 0.79 | — | — | |
| SCHEMBL705254 | 0.79 | — | — | |
| SCHEMBL704465 | 0.79 | — | — | |
| SCHEMBL706238 | 0.77 | — | — | |
| SCHEMBL28222537 | 0.76 | — | — | |
| SCHEMBL4277068 | 0.76 | ALDH1A1 (0.39) | — |
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-7604866-B2 | Comprising silica particles and at least one binder compound; good mechanical strength and abrasion resistance | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2009-10-20 | — | — | US | disclosed |
| US-20060269724-A1 | Comprising silica particles and at least one binder compound; good mechanical strength and abrasion resistance | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2006-11-30 | — | — | US | disclosed |