⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3711365 | 0.79 | CHRM2 (0.41) | — | |
| SCHEMBL13280964 | 0.72 | — | — | |
| SCHEMBL232813 | 0.71 | — | — | |
| SCHEMBL17204765 | 0.64 | CHRNB2 (0.47) | — | |
| SCHEMBL1758873 | 0.63 | PRCP (0.32) | — | |
| SCHEMBL1758838 | 0.62 | PBRM1 (0.34) | — | |
| SCHEMBL1397218 | 0.62 | AKR1C3 (0.33) | — | |
| SCHEMBL9370074 | 0.61 | HRH3 (0.36) | — | |
| SCHEMBL929053 | 0.61 | HRH3 (0.36) | — | |
| SCHEMBL478677 | 0.59 | CYP1A2 (0.42) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8986654-B2 | Labelled and un-labelled methyl-pyrrolyl-oxadiazolyl-diazabicyclononane derivatives and their medical use | DANPET AB (SE) | 2015-03-24 | — | — | US | disclosed |
| US-20140030190-A1 | LABELLED AND UN-LABELLED METHYL-PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE | DANPET AB (SE) | 2014-01-30 | — | — | US | disclosed |
| US-20120288443-A1 | LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS | NEUROSEARCH A/S (DK) | 2012-11-15 | — | — | US | disclosed |
| US-20120288443-A1 | LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS | NEUROSEARCH A/S (DK) | 2012-11-15 | — | — | US | disclosed |
| WO-2012139925-A1 | LABELLED AND UN-LABELLED METHYL-PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE | NEUROSEARCH A/S (DK) | 2012-10-18 | — | — | WO | disclosed |
| EP-2498826-A1 | LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS | NeuroSearch AS (DK) | 2012-09-19 | — | — | EP | disclosed |
| EP-2498826-A1 | LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS | NeuroSearch AS (DK) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011058002-A1 | LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS | NEUROSEARCH A/S (DK) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011058002-A1 | LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS | NEUROSEARCH A/S (DK) | 2011-05-19 | — | — | WO | disclosed |