⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27910517 | 0.79 | — | — | |
| SCHEMBL25473364 | 0.73 | — | — | |
| SCHEMBL3519677 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL24071200 | 0.71 | — | — | |
| SCHEMBL435551 | 0.71 | — | — | |
| SCHEMBL3515860 | 0.71 | HMGCR (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL6668363 | 0.67 | TSHR (0.42) | — | |
| SCHEMBL27490622 | 0.67 | TSHR (0.42) | — | |
| SCHEMBL28063472 | 0.67 | TSHR (0.42) | — | |
| SCHEMBL9248668 | 0.67 | TSHR (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8338603-B2 | TRPV1 antagonists | ABBVIE INC. (US) | 2012-12-25 | — | — | US | disclosed |
| US-20120108642-A1 | TRPV1 ANTAGONISTS | ABBVIE INC. | 2012-05-03 | — | — | US | disclosed |
| US-8084616-B2 | TRPV1 antagonists | ABBOTT LABORATORIES (US) | 2011-12-27 | — | — | US | disclosed |
| EP-2215061-A2 | TRPV1 ANTAGONISTS | Abbott Laboratories (US) | 2010-08-11 | — | — | EP | disclosed |
| US-20090124671-A1 | TRPV1 ANTAGONISTS | ABBOTT LABORATORIES (US) | 2009-05-14 | — | — | US | disclosed |
| WO-2009055629-A2 | CYCLOHEXENEAMIDE DERIVATIVES AND THEIR USE AS TRPV1 ANTAGONIST | ABBOTT LABORATORIES (US) | 2009-04-30 | — | — | WO | disclosed |