⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20033687 | 0.77 | — | — | |
| SCHEMBL29324232 | 0.72 | CYP17A1 (0.35) | — | |
| SCHEMBL24656162 | 0.68 | HTR6 (0.33) | — | |
| SCHEMBL25527201 | 0.68 | HTR6 (0.33) | — | |
| SCHEMBL16544513 | 0.68 | PDE4A (0.33) | — | |
| SCHEMBL13145589 | 0.65 | KMT2A (0.36) | — | |
| SCHEMBL14549683 | 0.62 | CAMKK1 (0.35) | — | |
| SCHEMBL13400654 | 0.62 | — | — | |
| SCHEMBL4569754 | 0.61 | TNKS (0.33) | — | |
| SCHEMBL8786654 | 0.61 | CCR1 (0.33) | — |
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-20180134704-A1 | BIARYL KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-17 | — | — | US | disclosed |