⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4299873 | 0.84 | — | — | |
| SCHEMBL27712310 | 0.75 | CA2 (0.30) | — | |
| SCHEMBL2057247 | 0.73 | — | — | |
| SCHEMBL14417671 | 0.70 | USP2 (0.35) | — | |
| SCHEMBL544749 | 0.69 | — | — | |
| SCHEMBL5998267 | 0.69 | — | — | |
| SCHEMBL1060604 | 0.69 | — | — | |
| SCHEMBL1808306 | 0.67 | — | — | |
| SCHEMBL10828829 | 0.65 | FAAH (0.46) | — | |
| SCHEMBL10039229 | 0.65 | CA1 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4950768-A | ANTICARCINOGENIC AGENTS | CRONYN MARSHALL W (US) | 1990-08-21 | — | — | US | disclosed |
| EP-0168478-B1 | CANCER CHEMOTHERAPEUTIC CYCLIC AND ACYCLIC DISULFONIC ESTER COMPOUNDS, METHOD OF USE THEREFOR, AND INTERMEDIATES | CRONYN, Marshall W. (US) | 1989-04-05 | — | — | EP | disclosed |
| EP-0168478-A4 | CANCER CHEMOTHERAPEUTIC CYCLIC AND ACYCLIC DISULFONIC ESTER COMPOUNDS, METHOD OF USE THEREFOR, AND INTERMEDIATES. | CRONYN MARSHALL W | 1986-11-07 | — | — | EP | disclosed |
| EP-0168478-A1 | CANCER CHEMOTHERAPEUTIC CYCLIC AND ACYCLIC DISULFONIC ESTER COMPOUNDS, METHOD OF USE THEREFOR, AND INTERMEDIATES. | CRONYN MARSHALL W | 1986-01-22 | — | — | EP | disclosed |
| WO-1985003075-A1 | CANCER CHEMOTHERAPEUTIC CYCLIC AND ACYCLIC DISULFONIC ESTER COMPOUNDS, METHOD OF USE THEREFOR, AND INTERMEDIATES | CRONYN MARSHALL W | 1985-07-18 | — | — | WO | disclosed |