⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4175950 | 0.88 | — | — | |
| SCHEMBL2012122 | 0.69 | L3MBTL3 (0.31) | — | |
| SCHEMBL2012120 | 0.69 | L3MBTL3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL29716176 | 0.68 | L3MBTL3 (0.30) | — | |
| SCHEMBL4338515 | 0.64 | — | — | |
| Urea SCHEMBL2141933 | 0.57 | — | — | |
| Urea SCHEMBL28726450 | 0.57 | ALDH1A1 (0.43) | — | |
| Carbamic Acid SCHEMBL16057897 | 0.55 | — | — | |
| SCHEMBL1026396 | 0.55 | — | — | |
| SCHEMBL11791189 | 0.55 | CXCR4 (0.54) | — |
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 |