⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4107894 | 0.81 | — | — | |
| SCHEMBL1553320 | 0.81 | — | — | |
| SCHEMBL20180203 | 0.74 | — | — | |
| SCHEMBL541849 | 0.74 | — | — | |
| SCHEMBL11985903 | 0.74 | — | — | |
| SCHEMBL12862696 | 0.72 | — | — | |
| SCHEMBL2220872 | 0.70 | — | — | |
| SCHEMBL17437158 | 0.70 | — | — | |
| SCHEMBL13821044 | 0.70 | — | — | |
| SCHEMBL15637388 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011084439-A1 | TETRAHYDROCARBOLINE DERIVATIVES AS EG5 INHIBITORS | SANOFI (FR) | 2011-07-14 | — | — | WO | disclosed |
| WO-2011084439-A1 | TETRAHYDROCARBOLINE DERIVATIVES AS EG5 INHIBITORS | SANOFI (FR) | 2011-07-14 | — | — | WO | disclosed |
| EP-2226323-A1 | New tetrahydropyrazolo[3,4-c]isoquinolin-5-amine derivatives | Almirall, S.A. (ES) | 2010-09-08 | — | — | EP | disclosed |