⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2161853 | 0.76 | — | — | |
| SCHEMBL6060235 | 0.67 | — | — | |
| SCHEMBL4119428 | 0.66 | — | — | |
| SCHEMBL471910 | 0.65 | — | — | |
| SCHEMBL23646051 | 0.64 | — | — | |
| SCHEMBL3101799 | 0.64 | — | — | |
| SCHEMBL8510464 | 0.64 | — | — | |
| SCHEMBL5719204 | 0.62 | — | — | |
| SCHEMBL47739 | 0.62 | — | — | |
| SCHEMBL16544543 | 0.62 | — | — |
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-7858699-B2 | Thermally reversible composite material | CHUNG YUAN CHRISTIAN UNIVERSITY (TW) | 2010-12-28 | — | — | US | disclosed |