⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28270960 | 0.77 | — | — | |
| SCHEMBL87185 | 0.74 | — | — | |
| SCHEMBL126707 | 0.74 | — | — | |
| SCHEMBL127016 | 0.74 | — | — | |
| SCHEMBL126686 | 0.74 | — | — | |
| SCHEMBL21757726 | 0.72 | ADH1B (0.47) | — | |
| SCHEMBL30864051 | 0.72 | — | — | |
| SCHEMBL3505574 | 0.72 | KCNH2 (0.33) | — | |
| SCHEMBL320777 | 0.72 | KCNH2 (0.33) | — | |
| SCHEMBL1811309 | 0.72 | KCNH2 (0.33) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2997012-A1 | FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE | The University Court of The University of Aberdeen (GB) | 2016-03-23 | — | — | EP | disclosed |
| WO-2014184561-A1 | FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE | THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) | 2014-11-20 | — | — | WO | disclosed |
| EP-2582692-A1 | CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 | Janssen Pharmaceutica, N.V. (BE) | 2013-04-24 | — | — | EP | disclosed |
| WO-2011159854-A1 | CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 | JANSSEN PHARMACEUTICA NV (BE) | 2011-12-22 | — | — | WO | disclosed |
| WO-2010132247-A1 | BENZIMIDAZOLE DERIVATIVES USEFUL AS TRP M8 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2010-11-18 | — | — | WO | disclosed |
| EP-2010531-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES | Grünenthal GmbH (DE) | 2009-01-07 | — | — | EP | disclosed |
| EP-1989174-A1 | SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES | Grünenthal GmbH (DE) | 2008-11-12 | — | — | EP | disclosed |
| EP-1963288-A1 | SUBSTITUTED OXAZOLE DERIVATIVES WITH AN ANALGESIC ACTION | Grünenthal GmbH (DE) | 2008-09-03 | — | — | EP | disclosed |
| EP-1963289-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS | Grünenthal GmbH (DE) | 2008-09-03 | — | — | EP | disclosed |
| EP-1963278-A1 | SUBSTITUTED IMIDAZOLINE DERIVATIVES | Grünenthal GmbH (DE) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007124903-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES | Grünenthal GmbH (DE) | 2007-11-08 | — | — | WO | disclosed |
| WO-2007079931-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007079927-A1 | SUBSTITUTED IMIDAZOLINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007079928-A1 | SUBSTITUTED OXAZOLE DERIVATIVES WITH AN ANALGESIC ACTION | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007079930-A1 | SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |