⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27496110 | 0.82 | HCAR2 (0.70) | — | |
| SCHEMBL26096940 | 0.81 | HCAR2 (0.61) | — | |
| SCHEMBL40333 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL4713523 | 0.78 | HCAR2 (0.95) | — | |
| SCHEMBL31557609 | 0.78 | — | — | |
| SCHEMBL32678651 | 0.78 | — | — | |
| SCHEMBL32678652 | 0.78 | — | — | |
| SCHEMBL1504 | 0.78 | — | — | |
| SCHEMBL3654289 | 0.78 | — | — | |
| SCHEMBL28747765 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100076005-A1 | ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES | UNIBIOSCREEN SA (BE) | 2010-03-25 | — | — | US | disclosed |
| US-7683218-B2 | Method for producing thioether compound | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-03-23 | — | — | US | disclosed |
| EP-2089395-A2 | NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES | UnibioScreen S.A. (BE) | 2009-08-19 | — | — | EP | disclosed |
| US-20080108823-A1 | Method For Producing Thioether Compound | MSD K.K. (JP) | 2008-05-08 | — | — | US | disclosed |
| WO-2008043846-A2 | NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES | UNIBIOSCREEN SA (BE) | 2008-04-17 | — | — | WO | disclosed |
| EP-1806337-A1 | METHOD FOR PRODUCING THIOETHER COMPOUND | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-07-11 | — | — | EP | disclosed |