⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21408162 | 0.77 | MMP9 (0.32) | — | |
| SCHEMBL31472482 | 0.70 | — | — | |
| SCHEMBL7673834 | 0.69 | KDM1A (0.45) | — | |
| SCHEMBL21658999 | 0.68 | — | — | |
| SCHEMBL9800283 | 0.65 | GRIN1 (0.33) | — | |
| SCHEMBL4563653 | 0.62 | MMP9 (0.33) | — | |
| SCHEMBL14378068 | 0.61 | TSHR (0.34) | — | |
| SCHEMBL14378002 | 0.61 | MMP9 (0.33) | — | |
| SCHEMBL8735146 | 0.60 | — | — | |
| SCHEMBL10689939 | 0.59 | ALDH1A1 (0.33) | — |
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-2018026371-A1 | DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2018-02-08 | — | — | WO | disclosed |