⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14420375 | 0.70 | — | — | |
| SCHEMBL2775253 | 0.70 | — | — | |
| SCHEMBL10787462 | 0.67 | — | — | |
| SCHEMBL10786985 | 0.65 | — | — | |
| SCHEMBL10782578 | 0.65 | — | — | |
| SCHEMBL11423058 | 0.65 | KDM4E (0.36) | — | |
| SCHEMBL1051551 | 0.65 | — | — | |
| Sulfuric Acid SCHEMBL31602188 | 0.64 | TSHR (0.42) | — | |
| SCHEMBL11367356 | 0.64 | TP53 (0.32) | — | |
| SCHEMBL11436945 | 0.64 | ALDH1A1 (0.30) | — |
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-0146838-B1 | (ALKYLSULFONYL)METHANESULFONATES AS ANTICANCER AGENTS | Southern Research Institute (US) | 1987-07-22 | — | — | EP | claimed |