⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8683 | 0.94 | — | — | |
| SCHEMBL27647884 | 0.89 | — | — | |
| SCHEMBL27633747 | 0.89 | — | — | |
| SCHEMBL28514768 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28876230 | 0.89 | — | — | |
| Benzene SCHEMBL27913534 | 0.80 | TSHR (0.36) | — | |
| Ethylene Glycol SCHEMBL28018692 | 0.78 | — | — | |
| SCHEMBL25352 | 0.70 | — | — | |
| SCHEMBL9353 | 0.68 | — | — | |
| Ethylene Glycol SCHEMBL344921 | 0.68 | — | — |
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-103179991-B | In vivo imaging method for cancer | 通用电气健康护理有限公司 | 2016-08-24 | — | — | CN | disclosed |