⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21596729 | 1.00 | — | — | |
| SCHEMBL1270865 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL1270866 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL169497 | 0.74 | — | — | |
| SCHEMBL6906383 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL6906380 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL6907652 | 0.69 | ALDH1A1 (0.43) | — | |
| Bicarbonate SCHEMBL8900312 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL187820 | 0.68 | — | — | |
| SCHEMBL187821 | 0.68 | — | — |
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-3810720-A1 | EXTRUDED PET FILMS WITH PHOTOSTABLE DYES FOR COLOR CONVERSION | BASF SE (DE) | 2021-04-28 | — | — | EP | disclosed |
| WO-2019243288-A1 | EXTRUDED PET FILMS WITH PHOTOSTABLE DYES FOR COLOR CONVERSION | BASF SE (DE) | 2019-12-26 | — | — | WO | disclosed |