⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23372046 | 0.79 | — | — | |
| SCHEMBL18632193 | 0.76 | — | — | |
| SCHEMBL5526518 | 0.76 | — | — | |
| SCHEMBL7859475 | 0.74 | — | — | |
| SCHEMBL9493367 | 0.71 | — | — | |
| SCHEMBL3712836 | 0.69 | — | — | |
| SCHEMBL727821 | 0.69 | — | — | |
| SCHEMBL3976069 | 0.69 | — | — | |
| SCHEMBL8212754 | 0.69 | — | — | |
| SCHEMBL3629274 | 0.69 | — | — |
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-2016004417-A1 | GLS1 INHIBITORS FOR TREATING DISEASE | BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) | 2016-01-07 | — | — | WO | disclosed |
| EP-2396296-A1 | AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | Abbott GmbH & Co. KG (DE) | 2011-12-21 | — | — | EP | disclosed |
| WO-2010092180-A1 | Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBOTT GMBH & CO. KG (DE) | 2010-08-19 | — | — | WO | disclosed |