⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL485995 | 0.82 | — | — | |
| SCHEMBL497286 | 0.82 | LAP3 (0.39) | — | |
| Hydrochloric Acid SCHEMBL6047705 | 0.80 | SMPD1 (0.42) | — | |
| SCHEMBL27505457 | 0.80 | SMPD1 (0.42) | — | |
| SCHEMBL2185946 | 0.80 | LAP3 (0.37) | — | |
| SCHEMBL777741 | 0.80 | — | — | |
| SCHEMBL2863833 | 0.79 | BTN3A1 (0.38) | — | |
| SCHEMBL9256494 | 0.79 | CTSA (0.32) | — | |
| SCHEMBL8555956 | 0.78 | — | — | |
| SCHEMBL28389061 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5391564-A | E.g., rhizoxin-13-yl 3-methylthiopropionate; anticarcinogenic agents | SANKYO COMPANY, LIMITED (JP) | 1995-02-21 | — | — | US | disclosed |
| US-5352689-A | Rhizoxin derivatives and their use as anti-tumor agents | SANKYO COMPANY, LIMITED (JP) | 1994-10-04 | — | — | US | disclosed |
| EP-0350315-B1 | RHIZOXIN DERIVATES AND THEIR USE AS ANTI-TUMOR AGENTS | SANKYO COMPANY LIMITED (JP) | 1993-06-16 | — | — | EP | disclosed |