⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24222560 | 0.77 | — | — | |
| SCHEMBL19173491 | 0.74 | — | — | |
| SCHEMBL17028334 | 0.74 | — | — | |
| SCHEMBL19966450 | 0.72 | — | — | |
| SCHEMBL14724698 | 0.72 | — | — | |
| SCHEMBL1537877 | 0.69 | — | — | |
| SCHEMBL1537878 | 0.69 | — | — | |
| SCHEMBL8279441 | 0.69 | — | — | |
| SCHEMBL6167960 | 0.69 | — | — | |
| SCHEMBL21261811 | 0.69 | ALDH1A1 (0.33) | — |
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-3492474-A1 | INTERMEDIATES USED IN THE PRODUCTION OF DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS | GlaxoSmithKline LLC (US) | 2019-06-05 | — | — | EP | disclosed |