⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28023862 | 0.77 | — | — | |
| SCHEMBL114178 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL2174709 | 0.75 | ALDH1A1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL3725829 | 0.75 | — | — | |
| SCHEMBL3792471 | 0.75 | ALDH1A1 (0.32) | — | |
| Alcohol SCHEMBL28395342 | 0.74 | — | — | |
| SCHEMBL5833895 | 0.71 | — | — | |
| SCHEMBL7530598 | 0.70 | — | — | |
| SCHEMBL4096619 | 0.70 | — | — | |
| SCHEMBL483479 | 0.69 | ALDH1A1 (0.31) | — |
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-117777635-A | Infrared transmission organic glass, antistatic organic glass and manufacturing method thereof | 浙江华帅特新材料科技有限公司 | 2024-03-29 | — | — | CN | disclosed |