⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27492065 | 0.78 | — | — | |
| SCHEMBL3071500 | 0.74 | — | — | |
| SCHEMBL4698139 | 0.72 | — | — | |
| SCHEMBL27768057 | 0.72 | — | — | |
| SCHEMBL28513455 | 0.70 | — | — | |
| SCHEMBL5061251 | 0.70 | — | — | |
| SCHEMBL5729552 | 0.70 | NPC1 (0.31) | — | |
| SCHEMBL8352064 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL8714139 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL27816672 | 0.68 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9925197-B2 | Benzo [C] isoxazoloazepine bromodomain inhibitors and uses thereof | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2018-03-27 | — | — | US | disclosed |
| CN-107847618-A | HBED-bisphosphonates, radiometal conjugates thereof and their use as theranostic agents | 五制药股份有限公司 | 2018-03-27 | — | — | CN | disclosed |
| EP-2859000-B1 | BENZO[C]ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS INC (US) | 2017-04-26 | — | — | EP | disclosed |
| US-20170079984-A1 | BENZO [C] ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. | 2017-03-23 | — | — | US | disclosed |
| US-9493483-B2 | Benzo [C] isoxazoloazepine bromodomain inhibitors and uses thereof | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2016-11-15 | — | — | US | disclosed |
| US-20150148337-A1 | BENZO [C] ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2015-05-28 | — | — | US | disclosed |
| EP-2859000-A1 | BENZO [C]ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF | Constellation Pharmaceuticals, Inc. (US) | 2015-04-15 | — | — | EP | disclosed |
| US-8889670-B2 | Heterocyclic compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-18 | — | — | US | disclosed |
| WO-2013184876-A1 | BENZO [C] ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2013-12-12 | — | — | WO | 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 |