⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7165229 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL5570318 | 0.76 | THRB (0.33) | — | |
| SCHEMBL1804528 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL18104531 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL22204608 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL28816952 | 0.70 | — | — | |
| SCHEMBL18104532 | 0.70 | — | — | |
| SCHEMBL21229944 | 0.70 | — | — | |
| SCHEMBL19750451 | 0.67 | MAPK1 (0.31) | — | |
| SCHEMBL674128 | 0.66 | CPB1 (0.34) | — |
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-105745007-A | Method for removing dust and sulphur oxides from process gases | 陶氏环球技术有限责任公司 | 2016-07-06 | — | — | CN | claimed |