⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2082838 | 1.00 | — | — | |
| SCHEMBL2079556 | 0.82 | SLC6A2 (0.32) | — | |
| SCHEMBL2079554 | 0.82 | SLC6A2 (0.32) | — | |
| SCHEMBL31401298 | 0.77 | — | — | |
| SCHEMBL4048084 | 0.75 | MEN1 (0.41) | — | |
| SCHEMBL4047915 | 0.75 | MEN1 (0.41) | — | |
| SCHEMBL65492 | 0.71 | SLC6A4 (0.42) | — | |
| SCHEMBL1033810 | 0.71 | SLC6A4 (0.42) | — | |
| SCHEMBL181909 | 0.71 | SLC6A4 (0.42) | — | |
| SCHEMBL6119041 | 0.70 | KDM4E (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7902226-B2 | Dehalogeno-compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2011-03-08 | — | — | US | disclosed |
| EP-1336611-B1 | DEHALOGENO COMPOUNDS | DAIICHI SEIYAKU CO (JP) | 2007-09-05 | — | — | EP | disclosed |
| US-20070123560-A1 | Dehalogeno-compounds | DAIICHI PHARMACEUTICAL CO., LTD. | 2007-05-31 | — | — | US | disclosed |
| CN-1269817-C | Dehalogenated compounds | DAIICHI SEIYAKU CO (JP) | 2006-08-16 | — | — | CN | disclosed |
| US-20040063754-A1 | Dehalogeno compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-04-01 | — | — | US | disclosed |
| CN-1486315-A | Dehalogenated compounds | ��һ��������ҩ��ʽ���� | 2004-03-31 | — | — | CN | disclosed |
| EP-1336611-A1 | DEHALOGENO COMPOUNDS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-08-20 | — | — | EP | disclosed |