⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24197586 | 0.78 | GAA (0.32) | — | |
| SCHEMBL13690369 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL25106832 | 0.72 | HTT (0.40) | — | |
| SCHEMBL26617624 | 0.71 | CYP3A4 (0.42) | — | |
| SCHEMBL30639795 | 0.69 | POLB (0.37) | — | |
| SCHEMBL26614753 | 0.69 | POLB (0.37) | — | |
| SCHEMBL25106841 | 0.69 | CYP3A4 (0.30) | — | |
| SCHEMBL20226629 | 0.69 | GAA (0.40) | — | |
| SCHEMBL20590378 | 0.69 | CYP2A6 (0.38) | — | |
| SCHEMBL18793008 | 0.67 | POLB (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3134403-B1 | 1H-PYRROLO[2,3-C]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-C]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS | INCYTE CORP (US) | 2020-02-12 | — | — | EP | disclosed |