⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2709506 | 0.90 | ALDH1A1 (0.35) | — | |
| SCHEMBL28302835 | 0.79 | CASP3 (0.35) | — | |
| SCHEMBL1697182 | 0.77 | ADRA2A (0.33) | — | |
| SCHEMBL16241390 | 0.76 | SGMS2 (0.32) | — | |
| SCHEMBL28157161 | 0.76 | TLR8 (0.35) | — | |
| SCHEMBL16267835 | 0.76 | KDM4E (0.39) | — | |
| SCHEMBL118831 | 0.76 | TLR8 (0.36) | — | |
| SCHEMBL28484160 | 0.75 | PTGES (0.32) | — | |
| SCHEMBL28561775 | 0.74 | CNR1 (0.31) | — | |
| SCHEMBL1301338 | 0.73 | NR1I2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108024923-A | Cosmetics photoprotective composition | 罗地亚经营管理公司 | 2018-05-11 | — | — | CN | disclosed |