⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12332882 | 0.84 | — | — | |
| SCHEMBL12517728 | 0.75 | — | — | |
| SCHEMBL12316042 | 0.72 | — | — | |
| SCHEMBL565192 | 0.71 | GAA (0.31) | — | |
| Alcohol SCHEMBL28326206 | 0.68 | KMT2A (0.31) | — | |
| SCHEMBL14727658 | 0.68 | — | — | |
| SCHEMBL28607454 | 0.66 | GAA (0.31) | — | |
| SCHEMBL13868102 | 0.65 | — | — | |
| SCHEMBL12517417 | 0.64 | GNAI3 (0.35) | — | |
| SCHEMBL13130571 | 0.64 | TSHR (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2545035-B1 | STERICALLY HINDERED AMINES | BASF SE (DE) | 2017-08-09 | — | — | EP | disclosed |
| WO-2011107515-A2 | STERICALLY HINDERED AMINES | BASF SE (DE) | 2011-09-09 | — | — | WO | disclosed |