⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27877489 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL4820689 | 0.71 | — | — | |
| SCHEMBL8038677 | 0.71 | — | — | |
| SCHEMBL2784195 | 0.71 | — | — | |
| SCHEMBL4822985 | 0.71 | — | — | |
| SCHEMBL4825360 | 0.71 | — | — | |
| SCHEMBL9305926 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL2437229 | 0.65 | — | — | |
| SCHEMBL6917432 | 0.62 | — | — | |
| SCHEMBL6908154 | 0.62 | — | — |
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-115734784-A | Microneedle device for controlling thyroid hormone levels | 平衡治療有限責任公司 | 2023-03-03 | — | — | CN | disclosed |