⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL437130 | 0.77 | — | — | |
| SCHEMBL2094252 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL1715857 | 0.76 | — | — | |
| SCHEMBL3999262 | 0.74 | PKM (0.45) | — | |
| SCHEMBL13327033 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL243565 | 0.73 | — | — | |
| SCHEMBL3512203 | 0.73 | — | — | |
| SCHEMBL12530505 | 0.72 | SLC6A3 (0.37) | — | |
| SCHEMBL18038873 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL3508870 | 0.71 | SLC6A3 (0.36) | — |
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-2017024408-A1 | ARYL-SUBSTITUTED DIHYDROQUINOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS | NEOMED INSTITUTE (CA) | 2017-02-16 | — | — | WO | disclosed |