⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL708123 | 0.70 | — | — | |
| SCHEMBL706801 | 0.70 | — | — | |
| SCHEMBL705217 | 0.70 | — | — | |
| Ethylene SCHEMBL707435 | 0.66 | CA5A (0.33) | — | |
| SCHEMBL562188 | 0.62 | CA2 (0.44) | — | |
| SCHEMBL3195334 | 0.62 | KDM4E (0.37) | — | |
| SCHEMBL3205174 | 0.62 | TSHR (0.42) | — | |
| SCHEMBL30452312 | 0.61 | — | — | |
| SCHEMBL1749147 | 0.61 | — | — | |
| SCHEMBL17456450 | 0.60 | CA2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8124793-B2 | Derivatives of ethylene methanedisulfonate as cancer chemotherapeutic agents | CRONYN MARSHALL W (US) | 2012-02-28 | — | — | US | disclosed |
| US-20090176805-A1 | DERIVATIVES OF ETHYLENE METHANEDISULFONATE AS CANCER CHEMOTHERAPEUTIC AGENTS | CRONYN MARSHALL W | 2009-07-09 | — | — | US | disclosed |