⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6040454 | 0.73 | — | — | |
| SCHEMBL29468574 | 0.70 | — | — | |
| SCHEMBL8949876 | 0.70 | — | — | |
| SCHEMBL13645783 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL18881242 | 0.70 | — | — | |
| SCHEMBL8949634 | 0.69 | — | — | |
| SCHEMBL26750052 | 0.69 | — | — | |
| SCHEMBL842587 | 0.66 | — | — | |
| SCHEMBL12591094 | 0.66 | TAS2R38 (0.41) | — | |
| SCHEMBL20458788 | 0.65 | MGLL (0.46) | — |
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-10993983-B2 | Cyclic peptide epitopes and small-molecule mimics for inducing autophagy | TRUSTEES OF TUFTS COLLEGE (US) | 2021-05-04 | — | — | US | disclosed |