⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4178230 | 0.88 | — | — | |
| SCHEMBL4338515 | 0.73 | — | — | |
| Bicarbonate SCHEMBL7756177 | 0.56 | CA1 (0.39) | — | |
| Bicarbonate SCHEMBL10818248 | 0.56 | — | — | |
| SCHEMBL11791189 | 0.55 | CXCR4 (0.54) | — | |
| SCHEMBL16058143 | 0.54 | SLC6A1 (0.32) | — | |
| Benzoic Acid SCHEMBL29078253 | 0.54 | TSHR (0.58) | — | |
| SCHEMBL7316779 | 0.54 | SLC6A1 (0.32) | — | |
| Cyclohexene SCHEMBL11267115 | 0.54 | CA1 (0.36) | — | |
| SCHEMBL18818604 | 0.54 | ALDH1A1 (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009014730-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2009-01-29 | — | — | WO | disclosed |