⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6628288 | 0.95 | CYP1A2 (0.46) | — | |
| SCHEMBL13673452 | 0.79 | HRH3 (0.39) | — | |
| SCHEMBL12981825 | 0.77 | — | — | |
| SCHEMBL29012367 | 0.77 | CYP1A2 (0.42) | — | |
| SCHEMBL8944666 | 0.75 | — | — | |
| SCHEMBL6593058 | 0.75 | — | — | |
| SCHEMBL3938909 | 0.75 | — | — | |
| SCHEMBL21558940 | 0.75 | SIGMAR1 (0.36) | — | |
| SCHEMBL6897791 | 0.73 | CYP1A2 (0.39) | — | |
| SCHEMBL793959 | 0.72 | CYP1A2 (0.52) | — |
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-2007093366-A1 | NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | SANOFI-AVENTIS (DE) | 2007-08-23 | — | — | WO | disclosed |