⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11499881 | 0.75 | — | — | |
| SCHEMBL4249191 | 0.75 | — | — | |
| SCHEMBL30839 | 0.75 | — | — | |
| SCHEMBL28687855 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL8958924 | 0.73 | — | — | |
| SCHEMBL11065513 | 0.71 | — | — | |
| SCHEMBL1778506 | 0.71 | — | — | |
| SCHEMBL11078085 | 0.71 | — | — | |
| Calcium SCHEMBL2879645 | 0.69 | LPAR3 (0.31) | — | |
| SCHEMBL170504 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0515544-B1 | STEROID SULPHATASE INHIBITORS | IMPERIAL COLLEGE (GB) | 1996-01-17 | — | — | EP | disclosed |
| US-5344827-A | Anticarcinogenic agents | IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) | 1994-09-06 | — | — | US | disclosed |
| US-5281587-A | Estrone or androsterone steroid-3-thiophosphonate for treatment of estrogen dependant tumors | IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) | 1994-01-25 | — | — | US | disclosed |
| EP-0515544-A1 | STEROID SULPHATASE INHIBITORS. | IMPERIAL COLLEGE (GB) | 1992-12-02 | — | — | EP | disclosed |
| WO-1991013083-A1 | STEROID SULPHATASE INHIBITORS | IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY & MEDICINE (GB) | 1991-09-05 | — | — | WO | disclosed |