⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19554084 | 0.90 | — | — | |
| SCHEMBL693530 | 0.78 | — | — | |
| SCHEMBL2430556 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL835617 | 0.70 | — | — | |
| SCHEMBL866586 | 0.69 | — | — | |
| SCHEMBL7802367 | 0.69 | — | — | |
| SCHEMBL6981872 | 0.69 | — | — | |
| SCHEMBL9259981 | 0.68 | ALOX15 (0.30) | — | |
| SCHEMBL4809229 | 0.68 | — | — | |
| SCHEMBL831155 | 0.68 | ALOX15 (0.30) | — |
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-2493886-B1 | HETEROARYL PIPERIDINE AND PIPERAZINE DERIVATES | BAYER CROPSCIENCE AG (DE) | 2014-11-26 | — | — | EP | disclosed |
| US-8501781-B2 | Heteroarylpiperidine and -piperazine derivatives | BAYER CROPSCIENCE AG (DE) | 2013-08-06 | — | — | US | disclosed |
| EP-2493886-A1 | HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES | Bayer CropScience AG (DE) | 2012-09-05 | — | — | EP | disclosed |
| US-20110306620-A1 | Heteroarylpiperidine And-Piperazine Derivatives | BAYER CROPSCIENCE AG (DE) | 2011-12-15 | — | — | US | disclosed |
| WO-2011051244-A1 | HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2011-05-05 | — | — | WO | disclosed |