⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22995132 | 0.77 | — | — | |
| SCHEMBL11791545 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL11791548 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL10665190 | 0.72 | — | — | |
| SCHEMBL10665195 | 0.72 | — | — | |
| SCHEMBL4030693 | 0.69 | MGAM (0.33) | — | |
| SCHEMBL4030697 | 0.69 | MGAM (0.33) | — | |
| SCHEMBL19254956 | 0.67 | — | — | |
| SCHEMBL23913817 | 0.67 | — | — | |
| SCHEMBL14576600 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2018089904-A1 | HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS | 3-V BIOSCIENCES, INC. (US) | 2018-05-17 | — | — | WO | disclosed |