⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3018158 | 0.85 | ENPEP (0.59) | — | |
| SCHEMBL19182605 | 0.83 | FOLH1 (0.59) | — | |
| SCHEMBL994189 | 0.83 | GSTK1 (0.63) | — | |
| SCHEMBL3515970 | 0.82 | FOLH1 (0.58) | — | |
| SCHEMBL2868539 | 0.81 | GSTK1 (0.64) | — | |
| SCHEMBL9253547 | 0.81 | GSTK1 (0.64) | — | |
| SCHEMBL3012513 | 0.81 | GSTK1 (0.64) | — | |
| SCHEMBL6361383 | 0.81 | GSTK1 (0.64) | — | |
| SCHEMBL8462380 | 0.79 | FOLH1 (0.54) | — | |
| SCHEMBL19179124 | 0.79 | FOLH1 (0.54) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105585579-A | Compound, preparation method thereof, and preparation method of maytansine DM1 | NANJING LEVENA BIOPHARMA CO LTD | 2016-05-18 | — | — | CN | disclosed |
| US-20100190902-A1 | ALKYLTIN SULFANYL ESTER THIOLS | CHEMTURA CORPORATION (US) | 2010-07-29 | — | — | US | disclosed |
| 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 |
| EP-0350315-A1 | Rhizoxin derivates and their use as anti-tumor agents | SANKYO COMPANY LIMITED (JP) | 1990-01-10 | — | — | EP | disclosed |