⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17781809 | 0.92 | DGAT1 (0.30) | — | |
| SCHEMBL17781810 | 0.90 | DGAT1 (0.30) | — | |
| SCHEMBL15007135 | 0.87 | DGAT1 (0.31) | — | |
| SCHEMBL15007519 | 0.87 | DGAT1 (0.31) | — | |
| SCHEMBL15026301 | 0.87 | DGAT1 (0.31) | — | |
| SCHEMBL17781813 | 0.85 | DGAT1 (0.31) | — | |
| SCHEMBL14298292 | 0.82 | DGAT1 (0.32) | — | |
| SCHEMBL17781811 | 0.81 | DGAT1 (0.31) | — | |
| SCHEMBL17836468 | 0.81 | DGAT1 (0.36) | — | |
| SCHEMBL15007268 | 0.80 | DGAT1 (0.34) | — |
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-2608668-B1 | FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN | MERCK SHARP & DOHME (US) | 2016-06-01 | — | — | EP | disclosed |