⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2123312 | 0.87 | ALDH1A1 (0.44) | — | |
| SCHEMBL16885822 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL1331044 | 0.73 | — | — | |
| SCHEMBL4200 | 0.73 | — | — | |
| SCHEMBL936261 | 0.73 | — | — | |
| SCHEMBL9418842 | 0.73 | — | — | |
| SCHEMBL1495883 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL13456844 | 0.71 | — | — | |
| SCHEMBL12036099 | 0.71 | — | — | |
| SCHEMBL6156439 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7858699-B2 | Thermally reversible composite material | CHUNG YUAN CHRISTIAN UNIVERSITY (TW) | 2010-12-28 | — | — | US | disclosed |
| US-20090156754-A1 | polyhedral oligomeric silsesquioxane (POSS) and a cross-linking agent; mainly composed of a polyorganosilsesquioxane having a cage-type structure; package materials | CHUNG YUAN CHRISTIAN UNIVERSITY (TW) | 2009-06-18 | — | — | US | disclosed |