⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30169 | 0.94 | — | — | |
| Methane SCHEMBL28164206 | 0.82 | — | — | |
| Thiourea SCHEMBL9462339 | 0.78 | — | — | |
| Hypochlorous Acid SCHEMBL28178387 | 0.78 | — | — | |
| Thiourea SCHEMBL28007773 | 0.76 | — | — | |
| SCHEMBL173591 | 0.74 | — | — | |
| SCHEMBL17943 | 0.74 | — | — | |
| Butane SCHEMBL7849041 | 0.74 | — | — | |
| Methane SCHEMBL455609 | 0.71 | TSHR (0.56) | — | |
| Thiourea SCHEMBL7175549 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112387426-B | Flotation method for copper oxide ore | 矿冶科技集团有限公司 | 2021-04-02 | — | — | CN | disclosed |
| CN-112387426-A | Flotation method for copper oxide ore | 矿冶科技集团有限公司 | 2021-02-23 | — | — | CN | disclosed |