⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13661895 | 0.82 | — | — | |
| SCHEMBL13751226 | 0.82 | — | — | |
| SCHEMBL13751228 | 0.79 | PPM1D (0.31) | — | |
| SCHEMBL13661904 | 0.79 | PPM1D (0.31) | — | |
| SCHEMBL13661897 | 0.78 | PPM1D (0.31) | — | |
| SCHEMBL13751268 | 0.78 | PPM1D (0.31) | — | |
| SCHEMBL13751229 | 0.77 | PPM1D (0.32) | — | |
| SCHEMBL13751282 | 0.76 | — | — | |
| SCHEMBL13661929 | 0.76 | — | — | |
| SCHEMBL13751224 | 0.75 | MMP2 (0.32) | — |
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 |