⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15482660 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL13526094 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL10417900 | 0.69 | TDP1 (0.36) | — | |
| SCHEMBL1088039 | 0.66 | CA1 (0.37) | — | |
| SCHEMBL3680404 | 0.66 | DGAT1 (0.36) | — | |
| SCHEMBL7692060 | 0.66 | DGAT1 (0.36) | — | |
| SCHEMBL28557899 | 0.66 | DGAT1 (0.36) | — | |
| SCHEMBL20313466 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL21129206 | 0.65 | — | — | |
| SCHEMBL22300133 | 0.64 | — | — |
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-2020160100-A1 | COMPOUNDS AND USES THEREOF | FOGHORN THERAPEUTICS INC. (US) | 2020-08-06 | — | — | WO | disclosed |