⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18689843 | 0.79 | EPAS1 (0.35) | — | |
| SCHEMBL19872228 | 0.79 | EPAS1 (0.35) | — | |
| SCHEMBL2968862 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL15311500 | 0.70 | CYP11B1 (0.51) | — | |
| SCHEMBL17257937 | 0.68 | CYP19A1 (0.32) | — | |
| SCHEMBL15311943 | 0.67 | CYP11B1 (0.48) | — | |
| SCHEMBL19043664 | 0.66 | CHRNB2 (0.39) | — | |
| SCHEMBL17802112 | 0.64 | CYP11B1 (0.31) | — | |
| SCHEMBL31124890 | 0.64 | CYP11B1 (0.50) | — | |
| SCHEMBL2966000 | 0.64 | KDM4E (0.34) | — |
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-3268362-B1 | SUBSTITUTED PYRIDINES AND USES THEREOF | PELOTON THERAPEUTICS INC (US) | 2021-10-20 | — | — | EP | disclosed |