⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10519890 | 0.82 | — | — | |
| SCHEMBL7397717 | 0.82 | — | — | |
| SCHEMBL8991588 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL11587936 | 0.80 | — | — | |
| SCHEMBL19340310 | 0.77 | — | — | |
| SCHEMBL18276239 | 0.68 | LMNA (0.37) | — | |
| SCHEMBL14963190 | 0.67 | — | — | |
| SCHEMBL24201150 | 0.65 | KDM4E (0.30) | — | |
| SCHEMBL13741006 | 0.65 | — | — | |
| SCHEMBL23018178 | 0.65 | — | — |
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-20170260237-A1 | MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-14 | — | — | US | disclosed |