⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL666206 | 1.00 | — | — | |
| SCHEMBL7678385 | 0.78 | NOS3 (0.33) | — | |
| SCHEMBL5638381 | 0.74 | — | — | |
| SCHEMBL5903420 | 0.74 | — | — | |
| SCHEMBL5636852 | 0.74 | — | — | |
| SCHEMBL6044865 | 0.73 | — | — | |
| SCHEMBL8598374 | 0.73 | — | — | |
| SCHEMBL6606480 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL9017224 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL8859976 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8618283-B2 | Ligand libraries for screening GPCRs | CAMBRIDGE ENTERPRISE LIMITED (GB) | 2013-12-31 | — | — | US | disclosed |
| EP-2508515-A1 | Ligands for g-protein coupled receptors | Cambridge Enterprise Limited (GB) | 2012-10-10 | — | — | EP | disclosed |
| US-20120046198-A1 | Ligand Libraries for Screening GPCRs | CAMBRIDGE ENTERPRISE LIMITED (GB) | 2012-02-23 | — | — | US | disclosed |
| US-20080261948-A1 | Ligands for G-Protein Coupled Receptors | CAMBRIDGE ENTERPRISE LIMITED (GB) | 2008-10-23 | — | — | US | disclosed |