⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13429574 | 0.79 | TSHR (0.50) | — | |
| SCHEMBL13429855 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL13429670 | 0.77 | — | — | |
| SCHEMBL5481526 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL13429671 | 0.75 | — | — | |
| SCHEMBL13429714 | 0.73 | CYP2A6 (0.32) | — | |
| SCHEMBL13430028 | 0.72 | KCNH2 (0.41) | — | |
| SCHEMBL22008508 | 0.71 | GAA (0.33) | — | |
| SCHEMBL13429613 | 0.71 | CA2 (0.32) | — | |
| SCHEMBL12128102 | 0.71 | TSHR (0.40) | — |
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-20100069603-A1 | METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-03-18 | — | — | US | disclosed |