⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9699439 | 0.97 | ALDH1A1 (0.39) | — | |
| SCHEMBL2933753 | 0.77 | HTR1A (0.32) | — | |
| SCHEMBL3461929 | 0.74 | — | — | |
| SCHEMBL2223767 | 0.74 | — | — | |
| SCHEMBL20173442 | 0.72 | — | — | |
| SCHEMBL10952646 | 0.72 | — | — | |
| SCHEMBL11438338 | 0.72 | PTGES (0.35) | — | |
| SCHEMBL8122373 | 0.72 | — | — | |
| SCHEMBL9883725 | 0.72 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL724252 | 0.70 | OR51E2 (0.35) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100261708-A1 | Diazepane Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-14 | — | — | US | claimed |
| EP-2215080-A1 | DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | Boehringer Ingelheim International GmbH (DE) | 2010-08-11 | — | — | EP | claimed |
| WO-2009055357-A1 | DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-30 | — | — | WO | claimed |
| US-7009052-B2 | Sulfonamide derivatives | WARNER LAMBERT COMPANY LLC (US) | 2006-03-07 | — | — | US | claimed |
| US-20050004367-A1 | Sulfonamide derivatives | DU DANIEL Y (US) | 2005-01-06 | — | — | US | claimed |
| EP-2384320-B1 | PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INT (DE) | 2015-03-04 | — | — | EP | disclosed |
| US-8889670-B2 | Heterocyclic compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-18 | — | — | US | disclosed |
| US-20140065171-A1 | Site-Specific Labeling Methods and Molecules Produced Thereby | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2014-03-06 | — | — | US | disclosed |
| US-8629157-B2 | Pyrrolidine compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-14 | — | — | US | disclosed |
| US-20120142677-A1 | Pyrrolidine Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-07 | — | — | US | disclosed |
| US-20110312944-A1 | Heterocyclic Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-22 | — | — | US | disclosed |
| US-20100261708-A1 | Diazepane Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-14 | — | — | US | disclosed |
| EP-2215080-A1 | DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | Boehringer Ingelheim International GmbH (DE) | 2010-08-11 | — | — | EP | disclosed |
| WO-2009055357-A1 | DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-30 | — | — | WO | disclosed |
| US-7009052-B2 | Sulfonamide derivatives | WARNER LAMBERT COMPANY LLC (US) | 2006-03-07 | — | — | US | disclosed |
| US-20050004367-A1 | Sulfonamide derivatives | DU DANIEL Y (US) | 2005-01-06 | — | — | US | disclosed |