⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20897968 | 0.74 | DUT (0.32) | — | |
| SCHEMBL21355870 | 0.74 | — | — | |
| SCHEMBL20607538 | 0.70 | — | — | |
| SCHEMBL21356175 | 0.70 | — | — | |
| SCHEMBL2472169 | 0.68 | TAAR1 (0.38) | — | |
| SCHEMBL21356241 | 0.68 | NOS3 (0.33) | — | |
| SCHEMBL21355916 | 0.68 | — | — | |
| SCHEMBL20897958 | 0.67 | RECQL (0.33) | — | |
| SCHEMBL460117 | 0.67 | — | — | |
| SCHEMBL5240508 | 0.67 | KDM4E (0.38) | — |
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-2019072978-A1 | MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS | Basilea Pharmaceutica International AG (CH) | 2019-04-18 | — | — | WO | disclosed |