⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18734935 | 0.90 | KMT2A (0.32) | — | |
| SCHEMBL18734926 | 0.89 | ALOX15 (0.31) | — | |
| SCHEMBL18735109 | 0.87 | CYP2C9 (0.34) | — | |
| SCHEMBL18735399 | 0.87 | CYP2C9 (0.34) | — | |
| SCHEMBL18735186 | 0.86 | CYP2C9 (0.30) | — | |
| SCHEMBL18734939 | 0.86 | — | — | |
| SCHEMBL18734931 | 0.84 | — | — | |
| SCHEMBL18735395 | 0.83 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL18735396 | 0.83 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL17164978 | 0.83 | CYP2C9 (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 |