⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16610309 | 0.63 | SLC6A4 (0.42) | — | |
| SCHEMBL18080765 | 0.55 | HTR1A (0.40) | — | |
| SCHEMBL23235578 | 0.55 | F12 (0.30) | — | |
| SCHEMBL30778874 | 0.52 | MAPT (0.41) | — | |
| SCHEMBL31003205 | 0.52 | GLP1R (0.33) | — | |
| SCHEMBL31164635 | 0.51 | SLC18A3 (0.31) | — | |
| SCHEMBL16608663 | 0.49 | OPRM1 (0.33) | — | |
| SCHEMBL23205341 | 0.49 | OPRM1 (0.50) | — | |
| SCHEMBL20842182 | 0.49 | SLC18A3 (0.47) | — | |
| SCHEMBL13732900 | 0.49 | AR (0.35) | — |
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-3071566-B1 | NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2020-04-15 | — | — | EP | disclosed |