⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL503067 | 0.90 | DRD2 (0.54) | — | |
| SCHEMBL134338 | 0.90 | DRD2 (0.54) | — | |
| SCHEMBL503006 | 0.90 | DRD2 (0.54) | — | |
| Hydrochloric Acid SCHEMBL917502 | 0.89 | DRD2 (0.53) | — | |
| Hydrochloric Acid SCHEMBL3653333 | 0.89 | DRD2 (0.53) | — | |
| SCHEMBL12609924 | 0.83 | — | — | |
| SCHEMBL12609923 | 0.83 | — | — | |
| SCHEMBL15547628 | 0.81 | DRD2 (0.53) | — | |
| SCHEMBL27748141 | 0.81 | DRD2 (0.53) | — | |
| SCHEMBL27862138 | 0.81 | — | — |
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-7595397-B2 | Compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-09-29 | — | — | US | disclosed |
| EP-1966132-A2 | COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-09-10 | — | — | EP | disclosed |
| US-20070191340-A1 | Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-08-16 | — | — | US | disclosed |
| WO-2007070760-A2 | COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-06-21 | — | — | WO | disclosed |