⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26783441 | 0.92 | — | — | |
| SCHEMBL12786581 | 0.85 | KDM4E (0.34) | — | |
| SCHEMBL17689392 | 0.81 | CA12 (0.34) | — | |
| SCHEMBL12786574 | 0.80 | — | — | |
| SCHEMBL23173362 | 0.80 | — | — | |
| SCHEMBL10171267 | 0.76 | — | — | |
| SCHEMBL1691280 | 0.72 | ITGB1 (0.33) | — | |
| SCHEMBL7904375 | 0.71 | LMNA (0.37) | — | |
| SCHEMBL25588676 | 0.71 | — | — | |
| SCHEMBL26783435 | 0.70 | — | — |
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-8362039-B2 | Therapeutic uses of compounds which selectively modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-01-29 | — | — | US | disclosed |
| EP-2342200-B1 | Compounds which selectively modulate the cb2 receptor | BOEHRINGER INGELHEIM INT (DE) | 2013-01-23 | — | — | EP | disclosed |
| US-20120010184-A1 | Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-12 | — | — | US | disclosed |
| WO-2010036630-A2 | COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | WO | disclosed |