⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20092261 | 0.64 | — | — | |
| SCHEMBL20461181 | 0.61 | PDCD1 (0.36) | — | |
| SCHEMBL24089934 | 0.52 | ADRA1D (0.31) | — | |
| SCHEMBL28715472 | 0.51 | — | — | |
| SCHEMBL3512906 | 0.49 | — | — | |
| SCHEMBL12432929 | 0.45 | — | — | |
| SCHEMBL19992372 | 0.45 | — | — | |
| SCHEMBL5019505 | 0.44 | — | — | |
| SCHEMBL3514647 | 0.44 | — | — | |
| SCHEMBL221614 | 0.44 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3357921-A2 | BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY | Sunesis Pharmaceuticals, Inc. (US) | 2018-08-08 | — | — | EP | disclosed |
| EP-3080103-B1 | BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY | BIOGEN MA INC (US) | 2018-04-18 | — | — | EP | disclosed |