⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2837627 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL12470651 | 0.78 | CTSB (0.31) | — | |
| SCHEMBL11904963 | 0.78 | CTSB (0.31) | — | |
| SCHEMBL3373246 | 0.70 | GAA (0.34) | — | |
| SCHEMBL12470399 | 0.64 | CTSB (0.32) | — | |
| SCHEMBL11905167 | 0.64 | CTSB (0.32) | — | |
| SCHEMBL27419986 | 0.58 | GAA (0.46) | — | |
| SCHEMBL9256797 | 0.57 | ALDH1A1 (0.36) | — | |
| SCHEMBL23677559 | 0.57 | KMT2A (0.44) | — | |
| SCHEMBL3642481 | 0.57 | MAPT (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8993595-B2 | Macrocyclic serine protease inhibitors | IDENIX PHARMACEUTICALS, INC. (US) | 2015-03-31 | — | — | US | disclosed |
| US-20130224147-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2013-08-29 | — | — | US | disclosed |
| US-8377962-B2 | Macrocyclic serine protease inhibitors | IDENIX PHARMACEUTICALS, INC. (US) | 2013-02-19 | — | — | US | disclosed |
| US-20100260710-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2010-10-14 | — | — | US | disclosed |