⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22796032 | 1.00 | — | — | |
| SCHEMBL10067588 | 1.00 | — | — | |
| SCHEMBL1722185 | 1.00 | — | — | |
| SCHEMBL1026045 | 1.00 | — | — | |
| SCHEMBL21078303 | 1.00 | — | — | |
| SCHEMBL23379159 | 1.00 | — | — | |
| SCHEMBL2634306 | 1.00 | — | — | |
| SCHEMBL22249013 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30144936 | 0.96 | — | — | |
| SCHEMBL16775245 | 0.74 | CCR5 (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2344470-B1 | 3-AZABICYCLO[3.1.0]HEXYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | JANSSEN PHARMACEUTICALS INC (US) | 2013-11-06 | — | — | EP | disclosed |
| WO-2010025890-A1 | 3-AZABICYCLO[3.1.0]HEXYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) | 2010-03-11 | — | — | WO | disclosed |