⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9375846 | 0.81 | CYP2C9 (0.32) | — | |
| SCHEMBL893205 | 0.74 | GNAI3 (0.33) | — | |
| SCHEMBL28417340 | 0.72 | — | — | |
| SCHEMBL27910496 | 0.72 | — | — | |
| SCHEMBL28887786 | 0.70 | — | — | |
| SCHEMBL12910969 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL5409994 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL3920317 | 0.69 | — | — | |
| SCHEMBL893039 | 0.68 | GNAI3 (0.37) | — | |
| SCHEMBL28389085 | 0.68 | GBA1 (0.34) | — |
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-2542526-A1 | STERICALLY HINDERED AMINES | BASF SE (DE) | 2013-01-09 | — | — | EP | disclosed |
| WO-2011107513-A1 | STERICALLY HINDERED AMINES | BASF SE (DE) | 2011-09-09 | — | — | WO | disclosed |