⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13661929 | 1.00 | — | — | |
| SCHEMBL13661904 | 0.87 | PPM1D (0.31) | — | |
| SCHEMBL13751228 | 0.87 | PPM1D (0.31) | — | |
| SCHEMBL13751268 | 0.86 | PPM1D (0.31) | — | |
| SCHEMBL13661897 | 0.86 | PPM1D (0.31) | — | |
| SCHEMBL13661913 | 0.85 | — | — | |
| SCHEMBL13661944 | 0.84 | — | — | |
| SCHEMBL13661937 | 0.81 | HRH3 (0.35) | — | |
| SCHEMBL13661895 | 0.79 | — | — | |
| SCHEMBL13751226 | 0.79 | — | — |
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-7576089-B2 | 3-cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors | INCYTE CORPORATION | 2009-08-18 | — | — | US | disclosed |