⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3044676 | 0.86 | — | — | |
| SCHEMBL3038813 | 0.84 | — | — | |
| SCHEMBL3042493 | 0.84 | — | — | |
| SCHEMBL3038654 | 0.82 | TSHR (0.34) | — | |
| SCHEMBL271737 | 0.82 | — | — | |
| SCHEMBL3034928 | 0.81 | CA2 (0.33) | — | |
| SCHEMBL8975852 | 0.78 | SMPD1 (0.38) | — | |
| SCHEMBL106680 | 0.77 | — | — | |
| SCHEMBL3038346 | 0.77 | — | — | |
| SCHEMBL3031139 | 0.75 | — | — |
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-1818326-A1 | Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds | Eisai R&D Management Co., Ltd. (JP) | 2007-08-15 | — | — | EP | disclosed |
| US-20060084658-A1 | Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2006-04-20 | — | — | US | disclosed |
| US-6906072-B1 | Piperazine compound and pharmaceutical composition containing the compound | EISAI CO., LTD. (JP) | 2005-06-14 | — | — | US | disclosed |
| US-20040220193-A1 | Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound | EISAI CO., LTD. | 2004-11-04 | — | — | US | disclosed |
| EP-1254895-A1 | NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Eisai Co., Ltd. (JP) | 2002-11-06 | — | — | EP | disclosed |