⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28187132 | 0.80 | TSHR (0.40) | — | |
| SCHEMBL270060 | 0.75 | — | — | |
| SCHEMBL5682325 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL3375300 | 0.73 | — | — | |
| SCHEMBL4727250 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL5457295 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL9869237 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL2009418 | 0.71 | — | — | |
| SCHEMBL4609300 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL6445903 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101052666-A | Dibenzodiazocine polymers | SOLVAY ADVANCED POLYMERS LLC (US) | 2007-10-10 | — | — | CN | claimed |
| EP-1812479-B1 | MODIFIED CHLORINATED CARBOXYLATED POLYOLEFINS AND THEIR USE AS ADHESION PROMOTERS | EASTMAN CHEM CO (US) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010063739-A1 | POLYURETHANE COMPOSITION COMPRISING HYDROXYALDIMINES | SIKA TECHNOLOGY AG (CH) | 2010-06-10 | — | — | WO | disclosed |