⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL669053 | 0.97 | — | — | |
| SCHEMBL31612577 | 0.85 | NPSR1 (0.33) | — | |
| SCHEMBL31612576 | 0.78 | CA12 (0.40) | — | |
| SCHEMBL1979846 | 0.74 | FDPS (0.39) | — | |
| SCHEMBL12164286 | 0.73 | — | — | |
| SCHEMBL21801422 | 0.73 | — | — | |
| SCHEMBL1083402 | 0.73 | — | — | |
| SCHEMBL10939854 | 0.72 | — | — | |
| SCHEMBL26603039 | 0.72 | FDPS (0.37) | — | |
| Sulfuric Acid SCHEMBL11527855 | 0.71 | CA5A (0.43) | — |
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-119707625-A | Polymerization inhibitor applied to butadiene refining process and preparation method thereof | 广州光义化工科技发展有限公司 | 2025-03-28 | — | — | CN | claimed |
| CN-119707625-A | Polymerization inhibitor applied to butadiene refining process and preparation method thereof | 广州光义化工科技发展有限公司 | 2025-03-28 | — | — | CN | disclosed |