⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26029277 | 0.81 | FABP4 (0.32) | — | |
| SCHEMBL25075599 | 0.80 | HDAC6 (0.33) | — | |
| SCHEMBL1854491 | 0.76 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL15195535 | 0.76 | CHRNB2 (0.37) | — | |
| SCHEMBL24685635 | 0.74 | — | — | |
| SCHEMBL12411113 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL30891964 | 0.73 | ASGR1 (0.32) | — | |
| Adamantane SCHEMBL1849974 | 0.70 | HSD11B1 (0.32) | — | |
| SCHEMBL25960296 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL25969292 | 0.69 | CYP1A2 (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 |
|---|---|---|---|---|---|---|---|
| WO-2017116702-A1 | ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS | MERIAL, INC. (US) | 2017-07-06 | — | — | WO | disclosed |