⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20830066 | 0.87 | MEN1 (0.30) | — | |
| SCHEMBL22946672 | 0.80 | — | — | |
| SCHEMBL6050516 | 0.78 | NCF1 (0.31) | — | |
| SCHEMBL25514660 | 0.76 | NCF1 (0.32) | — | |
| SCHEMBL22539961 | 0.72 | NCF1 (0.39) | — | |
| SCHEMBL12124973 | 0.72 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL26641950 | 0.72 | MEN1 (0.30) | — | |
| SCHEMBL6050536 | 0.71 | APEX1 (0.34) | — | |
| SCHEMBL13359324 | 0.71 | — | — | |
| SCHEMBL7176355 | 0.70 | MEN1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3704102-B1 | SUBSTITUTED QUINOLINE ANALOGS AS ALDEHYDE DEHYDROGENASE 1A1 (ALDH1A1) INHIBITORS | US HEALTH (US) | 2024-02-28 | — | — | EP | disclosed |
| EP-1763351-B9 | 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS | INCYTE HOLDINGS CORP (US) | 2017-05-31 | — | — | EP | disclosed |