⚠ 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 | 0.64 | — | — | |
| SCHEMBL31215418 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL31087758 | 0.61 | CYP2C19 (0.36) | — | |
| SCHEMBL28001658 | 0.60 | — | — | |
| SCHEMBL29973085 | 0.59 | CYP2C19 (0.42) | — | |
| SCHEMBL9121199 | 0.58 | — | — | |
| SCHEMBL29941995 | 0.58 | — | — | |
| SCHEMBL31087757 | 0.56 | CYP2C19 (0.30) | — | |
| Acetic Acid SCHEMBL7531107 | 0.56 | FFAR3 (0.39) | — | |
| Acetic Acid SCHEMBL3991283 | 0.56 | FFAR3 (0.39) | — |
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 |