⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14448195 | 0.86 | — | — | |
| SCHEMBL10163786 | 0.86 | — | — | |
| SCHEMBL18725545 | 0.86 | — | — | |
| SCHEMBL74890 | 0.86 | — | — | |
| SCHEMBL18946411 | 0.86 | — | — | |
| SCHEMBL18409768 | 0.86 | — | — | |
| SCHEMBL18938083 | 0.86 | — | — | |
| SCHEMBL5675081 | 0.79 | DPP4 (0.31) | — | |
| SCHEMBL25040970 | 0.77 | CCR5 (0.32) | — | |
| Hydrochloric Acid SCHEMBL30278410 | 0.75 | CCR5 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109206417-B | Opioid receptor agonists and uses thereof | 四川海思科制药有限公司 | 2023-01-03 | — | — | CN | disclosed |
| CN-115124520-A | Opioid receptor agonists and uses thereof | 四川海思科制药有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-109206417-A | Opioid receptor agonists and uses thereof | 四川海思科制药有限公司 | 2019-01-15 | — | — | CN | disclosed |
| EP-1487834-A1 | AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR | Bayer Aktiengesellschaft (DE) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003078431-A1 | AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR | BAYER HEALTHCARE AG (DE) | 2003-09-25 | — | — | WO | disclosed |
| US-4620012-A | HYPOTENSIVE AGENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-10-28 | — | — | US | disclosed |
| EP-0116276-A2 | Derivatives of spirocyclic amino-acids, their process of preparation, agents containing them, and their use, as well as spirocyclic amino-acids as intermediaries and their process of preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-08-22 | — | — | EP | disclosed |
| US-3967629-A | Bicyclic fragrance materials and processes therefor | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-07-06 | — | — | US | disclosed |