⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17528782 | 0.68 | GPR3 (0.40) | — | |
| SCHEMBL19721360 | 0.67 | HPGD (0.36) | — | |
| SCHEMBL21253853 | 0.64 | — | — | |
| SCHEMBL23532372 | 0.58 | CYP1A2 (0.53) | — | |
| SCHEMBL3949037 | 0.57 | ESR1 (0.40) | — | |
| SCHEMBL25056576 | 0.57 | — | — | |
| SCHEMBL24925925 | 0.57 | GPR3 (0.38) | — | |
| SCHEMBL23589522 | 0.57 | GPR3 (0.38) | — | |
| SCHEMBL12627491 | 0.57 | ALDH1A1 (0.43) | — | |
| SCHEMBL18698083 | 0.57 | KDM4E (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022267661-A1 | ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME | 陕西莱特光电材料股份有限公司 | 2022-12-29 | — | — | WO | disclosed |