⚠ 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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL28063227 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL216127 | 0.85 | TSHR (0.36) | — | |
| SCHEMBL87497 | 0.83 | — | — | |
| Acrylic Acid SCHEMBL28280460 | 0.82 | TSHR (0.31) | — | |
| Alcohol SCHEMBL28215508 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL29019014 | 0.79 | ALDH1A1 (0.47) | — | |
| SCHEMBL31155812 | 0.79 | TSHR (0.30) | — | |
| Styrene SCHEMBL29018983 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL28116628 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL31288976 | 0.75 | — | — |
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-118973802-A | Graded index polymer optical fiber and its production | 微软技术许可有限责任公司 | 2024-11-15 | — | — | CN | disclosed |