⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL548117 | 1.00 | — | — | |
| SCHEMBL189164 | 0.84 | ALDH1A1 (0.50) | — | |
| SCHEMBL188708 | 0.84 | — | — | |
| SCHEMBL11867125 | 0.84 | — | — | |
| SCHEMBL1524920 | 0.83 | — | — | |
| SCHEMBL5693055 | 0.81 | ALDH1A1 (0.43) | — | |
| SCHEMBL6738460 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL6155112 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL122871 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL11072877 | 0.81 | ALDH1A1 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8673682-B2 | High order silane composition and method of manufacturing a film-coated substrate | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2014-03-18 | — | — | US | claimed |
| US-8673682-B2 | High order silane composition and method of manufacturing a film-coated substrate | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2014-03-18 | — | — | US | disclosed |
| US-20110318939-A1 | HIGH ORDER SILANE COMPOSITION AND METHOD OF MANUFACTURING A FILM-COATED SUBSTRATE | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2011-12-29 | — | — | US | disclosed |