⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8739036 | 0.75 | APLNR (0.39) | — | |
| SCHEMBL21102819 | 0.74 | — | — | |
| SCHEMBL4853121 | 0.72 | GAA (0.52) | — | |
| SCHEMBL14192911 | 0.72 | GAA (0.52) | — | |
| SCHEMBL21102697 | 0.71 | — | — | |
| SCHEMBL2992832 | 0.71 | ADORA3 (0.36) | — | |
| Hydrochloric Acid SCHEMBL4960439 | 0.71 | GAA (0.50) | — | |
| SCHEMBL13333461 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL4436968 | 0.69 | GAA (0.48) | — | |
| SCHEMBL21102844 | 0.68 | ATM (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-2008109740-A2 | MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS | COLBY PHARMACEUTICAL COMPANY (US) | 2008-09-12 | — | — | WO | disclosed |