⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL633600 | 0.97 | — | — | |
| SCHEMBL27656652 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL7756743 | 0.71 | — | — | |
| SCHEMBL8020065 | 0.69 | — | — | |
| SCHEMBL5663944 | 0.69 | — | — | |
| SCHEMBL10448024 | 0.69 | — | — | |
| SCHEMBL17927777 | 0.69 | — | — | |
| Sulfuric Acid SCHEMBL896177 | 0.67 | CA5A (0.43) | — | |
| SCHEMBL9179748 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL24772431 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0337738-B1 | Process for producing a sulfonation product of conjugated diene, polymer of the sulfonation product and dispersion composition containing the sulfonation product and/or of the polymer | JAPAN SYNTHETIC RUBBER CO LTD (JP) | 1995-08-09 | — | — | EP | disclosed |