⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23336520 | 0.79 | — | — | |
| SCHEMBL23518744 | 0.62 | — | — | |
| SCHEMBL18807835 | 0.60 | — | — | |
| SCHEMBL16255563 | 0.58 | — | — | |
| SCHEMBL23330239 | 0.57 | — | — | |
| SCHEMBL21500439 | 0.56 | — | — | |
| SCHEMBL21908097 | 0.56 | — | — | |
| SCHEMBL10760430 | 0.56 | — | — | |
| SCHEMBL8438270 | 0.54 | — | — | |
| SCHEMBL2407922 | 0.54 | — | — |
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-2011076708-A1 | NEW AMINOTETRALINE DERIVATIVES | GMEINER PETER (DE) | 2011-06-30 | — | — | WO | disclosed |