⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8824466 | 0.80 | CYP3A4 (0.31) | — | |
| SCHEMBL19189072 | 0.65 | CYP3A4 (0.33) | — | |
| SCHEMBL13673997 | 0.64 | — | — | |
| SCHEMBL879175 | 0.62 | — | — | |
| SCHEMBL19138882 | 0.62 | — | — | |
| SCHEMBL22715989 | 0.62 | — | — | |
| SCHEMBL1747863 | 0.60 | GLI1 (0.31) | — | |
| SCHEMBL7532458 | 0.60 | GLI1 (0.31) | — | |
| SCHEMBL20261218 | 0.60 | GLI1 (0.31) | — | |
| SCHEMBL9998923 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2401392-B1 | SOLUTION PHASE HOMOGENEOUS ASSAYS | BECKMAN COULTER INC (US) | 2017-01-25 | — | — | EP | disclosed |