⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18737710 | 0.87 | CYP2C9 (0.32) | — | |
| SCHEMBL18735153 | 0.85 | — | — | |
| SCHEMBL18735195 | 0.83 | GAA (0.34) | — | |
| SCHEMBL18735235 | 0.83 | CYP2C9 (0.33) | — | |
| SCHEMBL18735143 | 0.82 | LMNA (0.31) | — | |
| SCHEMBL18735413 | 0.81 | CA1 (0.32) | — | |
| SCHEMBL18734937 | 0.80 | — | — | |
| SCHEMBL24144161 | 0.77 | — | — | |
| SCHEMBL18734964 | 0.75 | — | — | |
| SCHEMBL18734970 | 0.74 | MGAM (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-2017060400-A1 | PROTECTED CARBOXYLIC ACID-BASED METABOLITES FOR THE TREATMENT OF DISESASES RELATED TO MITOCHONDRIAL DYSFUNCTIONS | NEUROVIVE PHARMACEUTICAL AB (SE) | 2017-04-13 | — | — | WO | disclosed |