⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4445312 | 0.68 | — | — | |
| SCHEMBL11742503 | 0.63 | — | — | |
| SCHEMBL9707456 | 0.63 | — | — | |
| SCHEMBL8408706 | 0.63 | — | — | |
| SCHEMBL3126300 | 0.63 | — | — | |
| SCHEMBL311015 | 0.63 | — | — | |
| SCHEMBL6141634 | 0.61 | — | — | |
| SCHEMBL6250971 | 0.61 | — | — | |
| SCHEMBL5534124 | 0.60 | — | — | |
| SCHEMBL2353911 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1448201-A2 | USE OF N-(INDOLCARBONYL-)PIPERAZINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003045392-A2 | USE OF N-(INDOLCARBONYL-)PIPERAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2003-06-05 | — | — | WO | disclosed |