⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL446658 | 0.84 | — | — | |
| SCHEMBL180027 | 0.78 | — | — | |
| SCHEMBL19597841 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL23327460 | 0.72 | — | — | |
| SCHEMBL565279 | 0.72 | — | — | |
| SCHEMBL4481465 | 0.72 | — | — | |
| SCHEMBL18602606 | 0.70 | — | — | |
| SCHEMBL19381539 | 0.70 | — | — | |
| SCHEMBL23961853 | 0.70 | — | — | |
| SCHEMBL12619216 | 0.70 | — | — |
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-103539711-B | A kind of technique being continuously separated pure compound from refinery's mercaptan removal waste liquid | SINOPEC CORP. (CN) | 2015-09-16 | — | — | CN | disclosed |