⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28811901 | 0.90 | GABRP (0.34) | — | |
| SCHEMBL28811381 | 0.89 | DRD2 (0.33) | — | |
| SCHEMBL28810922 | 0.88 | CYP2D6 (0.31) | — | |
| SCHEMBL28810914 | 0.88 | MMP2 (0.33) | — | |
| SCHEMBL19989701 | 0.80 | PPARG (0.37) | — | |
| SCHEMBL28811343 | 0.80 | PPARG (0.42) | — | |
| SCHEMBL20025239 | 0.79 | DRD2 (0.38) | — | |
| SCHEMBL19989691 | 0.78 | — | — | |
| SCHEMBL28811338 | 0.78 | MMP2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL28810953 | 0.78 | ALDH2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110088087-B | Tetrahydropyridine derivatives and their use as antibacterial agents | 东亚ST株式会社 | 2022-08-09 | — | — | CN | disclosed |