⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18217252 | 1.00 | — | — | |
| SCHEMBL17176822 | 0.92 | — | — | |
| SCHEMBL16265269 | 0.90 | ESR1 (0.32) | — | |
| SCHEMBL21241716 | 0.90 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL18217165 | 0.90 | — | — | |
| SCHEMBL21608685 | 0.89 | ESR1 (0.31) | — | |
| SCHEMBL19798146 | 0.89 | — | — | |
| SCHEMBL18217140 | 0.89 | GCGR (0.31) | — | |
| SCHEMBL19636902 | 0.88 | — | — | |
| SCHEMBL18217177 | 0.88 | — | — |
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-109476997-B | Liquid-crystalline medium | 默克专利股份有限公司 | 2022-08-23 | — | — | CN | disclosed |