⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19501980 | 0.81 | — | — | |
| SCHEMBL18949753 | 0.81 | — | — | |
| SCHEMBL23133442 | 0.81 | TDP1 (0.30) | — | |
| SCHEMBL22571329 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL31369806 | 0.76 | — | — | |
| SCHEMBL20180910 | 0.76 | — | — | |
| SCHEMBL20180908 | 0.72 | PKM (0.40) | — | |
| SCHEMBL14306760 | 0.70 | — | — | |
| SCHEMBL24501058 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL16173866 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10227380-B2 | Triazole-crosslinked and thioether-crosslinked peptidomimetic macrocycles | AILERON THERAPEUTICS, INC. (US) | 2019-03-12 | — | — | US | disclosed |