⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16160995 | 0.59 | — | — | |
| SCHEMBL10606756 | 0.53 | — | — | |
| SCHEMBL13757669 | 0.52 | — | — | |
| SCHEMBL31347923 | 0.52 | — | — | |
| SCHEMBL21322058 | 0.51 | — | — | |
| SCHEMBL9513593 | 0.51 | — | — | |
| SCHEMBL24385155 | 0.50 | ALDH1A1 (0.41) | — | |
| SCHEMBL22337654 | 0.50 | — | — | |
| SCHEMBL11067726 | 0.50 | — | — | |
| SCHEMBL29022902 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3191113-B1 | MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80 (B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS | BRISTOL MYERS SQUIBB CO (US) | 2019-11-06 | — | — | EP | disclosed |