⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4637434 | 0.61 | — | — | |
| SCHEMBL10515564 | 0.58 | MAPT (0.31) | — | |
| SCHEMBL12500834 | 0.51 | APAF1 (0.35) | — | |
| SCHEMBL6129247 | 0.50 | MAPT (0.38) | — | |
| SCHEMBL18766357 | 0.50 | MAPT (0.34) | — | |
| SCHEMBL1676679 | 0.45 | DNMT1 (0.52) | — | |
| SCHEMBL1339261 | 0.44 | — | — | |
| SCHEMBL616020 | 0.40 | — | — | |
| SCHEMBL25410272 | 0.39 | ALDH1A1 (0.36) | — | |
| SCHEMBL7771357 | 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-0263071-B1 | 2-Substituted-e-fused-[1,2,4]-triazolo[1,5-c] pyrimidines, pharmaceutical compositions, and uses thereof | CIBA-GEIGY AG (CH) | 1992-08-12 | — | — | EP | claimed |