⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13422 | 0.85 | — | — | |
| Methane SCHEMBL28109159 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1002624 | 0.82 | — | — | |
| Water SCHEMBL28235026 | 0.82 | — | — | |
| Piperazine SCHEMBL7529697 | 0.82 | HIF1A (0.43) | — | |
| Hydrochloric Acid SCHEMBL4261800 | 0.82 | HIF1A (0.33) | — | |
| Acetic Acid SCHEMBL7238564 | 0.81 | FFAR3 (0.37) | — | |
| Formic Acid SCHEMBL30170635 | 0.78 | — | — | |
| Piperazine SCHEMBL3987157 | 0.75 | HIF1A (0.50) | — | |
| SCHEMBL2621589 | 0.74 | — | — |
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-8889670-B2 | Heterocyclic compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-18 | — | — | US | disclosed |
| EP-2398771-A2 | HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | Boehringer Ingelheim International GmbH (DE) | 2011-12-28 | — | — | EP | disclosed |
| US-20110312944-A1 | Heterocyclic Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-22 | — | — | US | disclosed |
| WO-2010096371-A2 | HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-08-26 | — | — | WO | disclosed |