⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1548514 | 0.96 | — | — | |
| Ethylene SCHEMBL4466749 | 0.88 | — | — | |
| Ethane SCHEMBL28445692 | 0.88 | TSHR (0.47) | — | |
| Cyclohexane SCHEMBL4451045 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL9651863 | 0.85 | — | — | |
| Propane SCHEMBL28442519 | 0.82 | TSHR (0.33) | — | |
| Boric Acid SCHEMBL28830634 | 0.82 | — | — | |
| Phosphoric Acid SCHEMBL28835857 | 0.79 | — | — | |
| Lithium Ion SCHEMBL28830673 | 0.79 | — | — | |
| Potassium Ion SCHEMBL30060171 | 0.79 | — | — |
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-107207851-B | Method for producing photochromic cured product | 株式会社德山 | 2020-07-17 | — | — | CN | disclosed |