⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8164735 | 0.94 | PDCD1 (0.30) | — | |
| SCHEMBL1240198 | 0.88 | BCHE (0.30) | — | |
| SCHEMBL4660557 | 0.85 | PDCD1 (0.31) | — | |
| SCHEMBL338922 | 0.79 | PDCD1 (0.30) | — | |
| SCHEMBL1240020 | 0.77 | — | — | |
| SCHEMBL3120877 | 0.77 | — | — | |
| SCHEMBL3824253 | 0.76 | PDCD1 (0.33) | — | |
| SCHEMBL7195312 | 0.76 | — | — | |
| SCHEMBL1240930 | 0.76 | — | — | |
| SCHEMBL1240088 | 0.76 | — | — |
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-3063184-B1 | ASYMMETRIC CATALYSTS FOR OLEFIN POLYMERISATION | EXXONMOBIL CHEMICAL PATENTS INC (US) | 2017-11-29 | — | — | EP | disclosed |