⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22305852 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL22290881 | 0.79 | — | — | |
| SCHEMBL12130447 | 0.78 | — | — | |
| SCHEMBL22305057 | 0.77 | MMP1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL12813291 | 0.76 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL15391057 | 0.76 | — | — | |
| SCHEMBL8811325 | 0.76 | — | — | |
| SCHEMBL22305848 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL24782304 | 0.72 | — | — | |
| SCHEMBL14856354 | 0.72 | — | — |
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-2020160192-A1 | COMPOUNDS AND USES THEREOF | FOGHORN THERAPEUTICS INC. (US) | 2020-08-06 | — | — | WO | disclosed |