⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2701910 | 0.70 | — | — | |
| SCHEMBL12600786 | 0.67 | — | — | |
| SCHEMBL11783445 | 0.67 | — | — | |
| SCHEMBL15607026 | 0.67 | — | — | |
| SCHEMBL2410182 | 0.64 | — | — | |
| SCHEMBL6276973 | 0.64 | — | — | |
| SCHEMBL14103800 | 0.64 | — | — | |
| Tert-Butylamine SCHEMBL5736553 | 0.61 | — | — | |
| Tert-Butylamine SCHEMBL8051 | 0.61 | — | — | |
| Tert-Butylamine SCHEMBL6064515 | 0.61 | FDPS (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 |
|---|---|---|---|---|---|---|---|
| WO-2017210302-A1 | PET IMAGING WITH PD-L1 BINDING POLYPEPTIDES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |