⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28818414 | 0.78 | — | — | |
| SCHEMBL21964096 | 0.78 | — | — | |
| SCHEMBL23149814 | 0.75 | — | — | |
| SCHEMBL29171334 | 0.74 | — | — | |
| SCHEMBL31280624 | 0.72 | — | — | |
| SCHEMBL28492959 | 0.71 | — | — | |
| SCHEMBL29171335 | 0.71 | — | — | |
| SCHEMBL8675700 | 0.70 | — | — | |
| SCHEMBL28458857 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL2312724 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080026314-A1 | Silane Compound, Polysiloxane, and Radiation-Sensitive Resin Composition | JSR CORPORATION (JP) | 2008-01-31 | — | — | US | disclosed |