⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL130536 | 0.93 | — | — | |
| SCHEMBL27999525 | 0.86 | — | — | |
| SCHEMBL4890100 | 0.86 | — | — | |
| SCHEMBL28263692 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL5962572 | 0.86 | — | — | |
| SCHEMBL7162276 | 0.86 | — | — | |
| SCHEMBL11427258 | 0.86 | — | — | |
| SCHEMBL9557582 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL27999319 | 0.86 | — | — | |
| Benzene SCHEMBL27633283 | 0.76 | — | — |
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-105885937-B | A kind of method of liquid hydrocarbon fine de-sulfur | 宁波章甫能源科技有限公司 | 2018-03-02 | — | — | CN | disclosed |