⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14429333 | 0.80 | NR3C1 (0.30) | — | |
| SCHEMBL5133602 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL2879251 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL9597464 | 0.79 | CHRM2 (0.31) | — | |
| SCHEMBL714279 | 0.79 | CHRM2 (0.31) | — | |
| SCHEMBL14429332 | 0.77 | — | — | |
| SCHEMBL8942857 | 0.77 | — | — | |
| SCHEMBL8942860 | 0.77 | — | — | |
| SCHEMBL30932244 | 0.76 | — | — | |
| SCHEMBL12943644 | 0.75 | HSP90AA1 (0.33) | — |
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-20070185063-A1 | Seven-membered ring nucleosides | IDENIX PHARMACEUTICALS, INC. | 2007-08-09 | — | — | US | disclosed |