⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10723500 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL21749881 | 0.78 | — | — | |
| SCHEMBL11183332 | 0.76 | — | — | |
| SCHEMBL27083049 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL11741427 | 0.76 | ABHD6 (0.33) | — | |
| SCHEMBL11183323 | 0.74 | — | — | |
| SCHEMBL4863907 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL11750257 | 0.72 | — | — | |
| SCHEMBL16856029 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL1449791 | 0.72 | RORC (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120220580-A1 | PREPARATION OF CAROTENOID DERIVATIVES AND THEIR APPLICATIONS | BEIJING GINGKO GROUP BIOLOGICAL TECHNOLOGY CO., LTD. (CN) | 2012-08-30 | — | — | US | disclosed |