⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1899798 | 0.98 | ALDH1A1 (0.30) | — | |
| SCHEMBL1899801 | 0.98 | ALDH1A1 (0.30) | — | |
| SCHEMBL467582 | 0.78 | KDM4E (0.38) | — | |
| SCHEMBL5170255 | 0.75 | NPC1 (0.34) | — | |
| SCHEMBL467680 | 0.72 | KCNH2 (0.38) | — | |
| SCHEMBL2137064 | 0.66 | — | — | |
| SCHEMBL19438261 | 0.57 | — | — | |
| SCHEMBL791507 | 0.56 | — | — | |
| SCHEMBL4391911 | 0.56 | — | — | |
| SCHEMBL1900342 | 0.55 | ALDH1A1 (0.31) | — |
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-2323989-A2 | METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS | Abbott Laboratories (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2009117626-A2 | METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS | ABBOTT LABORATORIES (US) | 2009-09-24 | — | — | WO | disclosed |
| WO-2006062981-A2 | ANTAGONISTS TO THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF | ABBOTT LABORATORIES (US) | 2006-06-15 | — | — | WO | disclosed |
| EP-1660455-A1 | FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR | ABBOTT LABORATORIES (US) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005016890-A1 | FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR | ABBOTT LABORATORIES (US) | 2005-02-24 | — | — | WO | disclosed |