⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2136973 | 0.80 | — | — | |
| SCHEMBL13834842 | 0.80 | TSHR (0.40) | — | |
| SCHEMBL7940986 | 0.80 | — | — | |
| SCHEMBL4272918 | 0.75 | TSHR (0.45) | — | |
| SCHEMBL18672303 | 0.74 | — | — | |
| SCHEMBL11749378 | 0.74 | — | — | |
| SCHEMBL2140338 | 0.73 | — | — | |
| SCHEMBL2140340 | 0.73 | — | — | |
| SCHEMBL2136218 | 0.71 | TSHR (0.42) | — | |
| SCHEMBL8462432 | 0.71 | ALOX15 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2272858-A2 | HCV inhibitors comprising beta amino acids and their uses | Novartis AG (CH) | 2011-01-12 | — | — | EP | disclosed |