⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20177564 | 0.65 | KDM1A (0.32) | — | |
| SCHEMBL17514687 | 0.64 | KDM1A (0.35) | — | |
| SCHEMBL17514785 | 0.61 | ABCB1 (0.37) | — | |
| SCHEMBL25329248 | 0.61 | SLC6A2 (0.42) | — | |
| SCHEMBL20177638 | 0.58 | ADRA1A (0.56) | — | |
| SCHEMBL20177859 | 0.58 | ADRA1A (0.31) | — | |
| SCHEMBL20177525 | 0.58 | ADRA1A (0.56) | — | |
| SCHEMBL25330573 | 0.58 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL20177607 | 0.56 | KDM1A (0.31) | — | |
| SCHEMBL20177572 | 0.56 | PDE4A (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 |
|---|---|---|---|---|---|---|---|
| WO-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |