⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23639191 | 0.73 | PIM1 (0.31) | — | |
| SCHEMBL29637086 | 0.69 | CYP3A4 (0.32) | — | |
| SCHEMBL21069105 | 0.57 | CYP3A4 (0.38) | — | |
| SCHEMBL21069104 | 0.57 | CYP3A4 (0.38) | — | |
| SCHEMBL25163406 | 0.57 | CYP11B2 (0.39) | — | |
| SCHEMBL21139917 | 0.54 | CYP3A4 (0.37) | — | |
| SCHEMBL1857560 | 0.54 | CTSS (0.39) | — | |
| SCHEMBL23639346 | 0.53 | MAPK8 (0.36) | — | |
| SCHEMBL20303766 | 0.53 | CYP11B2 (0.38) | — | |
| SCHEMBL18611234 | 0.52 | L3MBTL1 (0.39) | — |
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-3475279-B1 | TRIAZOLOPYRIDINES AS GAMMA-SECRETASE MODULATORS | HOFFMANN LA ROCHE (CH) | 2021-07-14 | — | — | EP | disclosed |