⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL310640 | 0.87 | — | — | |
| SCHEMBL4865827 | 0.83 | — | — | |
| SCHEMBL5161804 | 0.83 | — | — | |
| SCHEMBL9085008 | 0.81 | LPAR3 (0.34) | — | |
| SCHEMBL11200473 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL2389136 | 0.79 | — | — | |
| SCHEMBL43457 | 0.77 | — | — | |
| SCHEMBL13868110 | 0.77 | — | — | |
| SCHEMBL11703769 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL9119914 | 0.76 | — | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0998454-B1 | METALLOPROTEINASE INHIBITORS | BRITISH BIOTECH PHARM (GB) | 2003-03-26 | — | — | EP | claimed |
| US-20030040460-A1 | Use of thio derivatives as perfuming and flavoring ingredients | FIRMENICH SA (CH) | 2003-02-27 | — | — | US | claimed |
| EP-1249446-A2 | Use of thio derivates as perfuming and flavoring ingredients | FIRMENICH SA (CH) | 2002-10-16 | — | — | EP | claimed |
| US-5840974-A | Metalloproteinase inhibitors | BRITISCH BIOTECH PHARMACEUTICALS, LTD. (GB) | 1998-11-24 | — | — | US | claimed |
| US-10202345-B2 | Substituted azaspiro(4.5)decane derivatives | GRUENENTHAL GMBH (DE) | 2019-02-12 | — | — | US | disclosed |
| EP-3169666-B1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2018-06-06 | — | — | EP | disclosed |
| US-20170210734-A1 | Substituted Azaspiro(4.5)Decane Derivatives | GRUENENTHAL GMBH (DE) | 2017-07-27 | — | — | US | disclosed |
| EP-3169666-A1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2017-05-24 | — | — | EP | disclosed |
| US-9580386-B2 | Substituted 4-aminocyclohexane derivatives | GRÜNENTHAL (DE) | 2017-02-28 | — | — | US | disclosed |
| US-9403767-B2 | Substituted 4-aminocyclohexane derivatives | GRUENENTHAL GMBH (DE) | 2016-08-02 | — | — | US | disclosed |
| US-20160016903-A1 | Substituted Azaspiro(4.5)Decane Derivatives | GRUENENTHAL GMBH (DE) | 2016-01-21 | — | — | US | disclosed |
| WO-2016008582-A1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2016-01-21 | — | — | WO | disclosed |
| US-20090247561-A1 | SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES | GRUNENTHAL GMBH (DE) | 2009-10-01 | — | — | US | disclosed |
| US-20090247591-A1 | SUBSTITUTED CYCLOHEXYLDIAMINES | GRUNENTHAL GMBH (DE) | 2009-10-01 | — | — | US | disclosed |
| US-20090247530-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | GRUNENTHAL GMBH (DE) | 2009-10-01 | — | — | US | disclosed |
| EP-1249446-B1 | Use of thio derivates as flavoring ingredients | FIRMENICH & CIE (CH) | 2007-03-07 | — | — | EP | disclosed |
| US-7008919-B2 | Use of thio derivatives as perfuming and flavoring ingredients | FIRMENICH SA (CH) | 2006-03-07 | — | — | US | disclosed |
| US-20030040460-A1 | Use of thio derivatives as perfuming and flavoring ingredients | FIRMENICH SA (CH) | 2003-02-27 | — | — | US | disclosed |
| EP-1249446-A2 | Use of thio derivates as perfuming and flavoring ingredients | FIRMENICH SA (CH) | 2002-10-16 | — | — | EP | disclosed |
| US-6403796-B1 | REACTING PERYLENE MONOIMIDO ANHYDRIDE WITH MONOAMINOPERYLENE BISIMIDE TO PREPARE UNSYMMETRICAL PERYLENE BISIMIDE DIMER | XEROX CORPORATION | 2002-06-11 | — | — | US | disclosed |