⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1106487 | 0.76 | — | — | |
| SCHEMBL18804388 | 0.71 | — | — | |
| SCHEMBL18827262 | 0.69 | — | — | |
| SCHEMBL732496 | 0.67 | — | — | |
| SCHEMBL7999819 | 0.67 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL5054649 | 0.65 | ALDH1A1 (0.48) | — | |
| SCHEMBL18647660 | 0.63 | — | — | |
| SCHEMBL18804390 | 0.63 | — | — | |
| SCHEMBL18804428 | 0.63 | — | — | |
| SCHEMBL24160902 | 0.62 | — | — |
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-2017044633-A1 | PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 | AILERON THERAPEUTICS, INC. (US) | 2017-03-16 | — | — | WO | disclosed |