⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16000608 | 0.88 | — | — | |
| SCHEMBL23024611 | 0.81 | — | — | |
| SCHEMBL20345667 | 0.77 | PDE4D (0.46) | — | |
| SCHEMBL799686 | 0.77 | PDE4D (0.46) | — | |
| SCHEMBL10324251 | 0.77 | PDE4D (0.46) | — | |
| SCHEMBL14768699 | 0.77 | PDE4D (0.46) | — | |
| SCHEMBL7026520 | 0.77 | PDE4D (0.46) | — | |
| SCHEMBL799668 | 0.77 | PDE4D (0.46) | — | |
| SCHEMBL15334647 | 0.75 | PDE4D (0.37) | — | |
| SCHEMBL14073159 | 0.75 | PDE4D (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9492469-B2 | Combination therapy for the treatment of proliferative diseases | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-11-15 | — | — | US | disclosed |
| US-20160022723-A1 | COMBINATION THERAPY FOR THE TREATMENT OF PROLIFERATIVE DISEASES | BRISTOL-MYERS SQUIBB COMPANY | 2016-01-28 | — | — | US | disclosed |