⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL431487 | 0.87 | — | — | |
| SCHEMBL3861675 | 0.72 | — | — | |
| SCHEMBL7741995 | 0.69 | — | — | |
| SCHEMBL17135998 | 0.67 | — | — | |
| SCHEMBL2266346 | 0.65 | — | — | |
| SCHEMBL23733014 | 0.61 | — | — | |
| SCHEMBL4346106 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL800041 | 0.61 | — | — | |
| SCHEMBL9064018 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL2402174 | 0.61 | ALDH1A1 (0.30) | — |
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-7625990-B2 | Organic polymer having a silane tiol group, a titanium, aluminum or a zirconium catalyst, and a low molecular weight compound containing a hydrolyzable silicon group; sealants, adhesives | KANEKA CORPORATION (JP) | 2009-12-01 | — | — | US | disclosed |
| US-20080287636-A1 | Organic polymer having a silane tiol group, a titanium, aluminum or a zirconium catalyst, and a low molecular weight compound containing a hydrolyzable silicon group; sealants, adhesives | KANEKA CORPORATION (JP) | 2008-11-20 | — | — | US | disclosed |