⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21610561 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL786399 | 0.73 | CDK2 (0.44) | — | |
| SCHEMBL9906374 | 0.73 | — | — | |
| SCHEMBL765512 | 0.73 | — | — | |
| SCHEMBL20780325 | 0.73 | CCNE1 (0.37) | — | |
| SCHEMBL3055088 | 0.71 | — | — | |
| SCHEMBL2305870 | 0.71 | — | — | |
| SCHEMBL19880712 | 0.71 | — | — | |
| SCHEMBL14433723 | 0.71 | — | — | |
| SCHEMBL12354682 | 0.71 | — | — |
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-20170336406-A1 | PIF BINDING AS A MARKER FOR IMMUNE DYSREGULATION | BIOINCEPT, LLC (US) | 2017-11-23 | — | — | US | disclosed |