⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16859453 | 0.82 | — | — | |
| SCHEMBL660786 | 0.81 | — | — | |
| SCHEMBL7553235 | 0.81 | TRPA1 (0.33) | — | |
| SCHEMBL2780467 | 0.81 | TRPA1 (0.33) | — | |
| SCHEMBL11100395 | 0.78 | — | — | |
| SCHEMBL3234240 | 0.77 | TRPA1 (0.31) | — | |
| SCHEMBL19696693 | 0.77 | — | — | |
| SCHEMBL9013097 | 0.77 | — | — | |
| SCHEMBL9013248 | 0.77 | — | — | |
| SCHEMBL546439 | 0.77 | — | — |
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-1996545-A1 | SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME | Boehringer Ingelheim International GmbH (DE) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007106705-A1 | SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-09-20 | — | — | WO | disclosed |