⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20177566 | 0.83 | PDE4A (0.37) | — | |
| SCHEMBL20177630 | 0.81 | FPR1 (0.38) | — | |
| SCHEMBL20177607 | 0.75 | KDM1A (0.31) | — | |
| SCHEMBL20177721 | 0.75 | — | — | |
| SCHEMBL20177539 | 0.65 | — | — | |
| SCHEMBL19559455 | 0.63 | PDE4A (0.49) | — | |
| SCHEMBL20177622 | 0.62 | FPR2 (0.34) | — | |
| SCHEMBL18117795 | 0.61 | FPR1 (0.49) | — | |
| SCHEMBL19559411 | 0.61 | FPR1 (0.49) | — | |
| SCHEMBL19559481 | 0.60 | FPR1 (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 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 |