⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14110583 | 0.78 | — | — | |
| SCHEMBL1340124 | 0.75 | CTSK (0.30) | — | |
| SCHEMBL2761127 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL4620219 | 0.66 | — | — | |
| SCHEMBL21925338 | 0.66 | — | — | |
| SCHEMBL15201349 | 0.65 | — | — | |
| SCHEMBL55484 | 0.64 | — | — | |
| SCHEMBL304877 | 0.64 | — | — | |
| SCHEMBL2378002 | 0.64 | — | — | |
| SCHEMBL11517981 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9751850-B2 | TRPA1 antagonists | ABBVIE INC. (US) | 2017-09-05 | — | — | US | disclosed |
| US-20150065538-A1 | TRPA1 ANTAGONISTS | ABBVIE INC (US) | 2015-03-05 | — | — | US | disclosed |
| US-20090258907-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES | ABBOTT LABORATORIES (US) | 2009-10-15 | — | — | US | disclosed |