⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18009389 | 0.84 | CHRM1 (0.31) | — | |
| SCHEMBL18007450 | 0.83 | — | — | |
| SCHEMBL18009206 | 0.82 | HRH3 (0.31) | — | |
| SCHEMBL18007445 | 0.81 | — | — | |
| SCHEMBL18007447 | 0.80 | — | — | |
| SCHEMBL18009203 | 0.80 | KCNH2 (0.30) | — | |
| SCHEMBL18009451 | 0.79 | MMP2 (0.35) | — | |
| SCHEMBL18007456 | 0.79 | ATM (0.31) | — | |
| SCHEMBL18009207 | 0.78 | — | — | |
| SCHEMBL18009339 | 0.76 | PIK3CD (0.32) | — |
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-2016127186-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-08-11 | — | — | WO | disclosed |