⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27601296 | 0.79 | IDO1 (0.33) | — | |
| SCHEMBL27752602 | 0.77 | SELL (0.35) | — | |
| SCHEMBL27481199 | 0.74 | SIRT1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL27531055 | 0.72 | PRKCI (0.35) | — | |
| SCHEMBL28065744 | 0.72 | — | — | |
| SCHEMBL2371099 | 0.71 | — | — | |
| SCHEMBL27728787 | 0.71 | SHBG (0.37) | — | |
| SCHEMBL13937263 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL27467288 | 0.69 | ERN1 (0.41) | — | |
| SCHEMBL27855609 | 0.67 | IDO1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1318413-C | Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof | RES DEV FOUNDATION (US) | 2007-05-30 | — | — | CN | disclosed |
| CN-1706838-A | Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof | RES DEV FOUNDATION (US) | 2005-12-14 | — | — | CN | disclosed |