⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15337388 | 0.76 | DPP4 (0.43) | — | |
| SCHEMBL2226362 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL9696553 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL21246802 | 0.71 | SLC22A6 (0.34) | — | |
| Acrylamide SCHEMBL6835393 | 0.71 | TSHR (0.46) | — | |
| Acrylamide SCHEMBL195051 | 0.71 | TSHR (0.46) | — | |
| Acrylamide SCHEMBL28258328 | 0.71 | TSHR (0.46) | — | |
| SCHEMBL16330620 | 0.71 | — | — | |
| SCHEMBL28407499 | 0.70 | SLC22A6 (0.33) | — | |
| SCHEMBL3421787 | 0.70 | SLC22A6 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060243951-A1 | Electrochromic copolymer | ENERGY, U.S. DEPARTMENT OF | 2006-11-02 | — | — | US | disclosed |