⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11424135 | 0.75 | — | — | |
| SCHEMBL8384135 | 0.75 | — | — | |
| SCHEMBL5085849 | 0.73 | — | — | |
| SCHEMBL5555690 | 0.73 | — | — | |
| SCHEMBL8197758 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL9161862 | 0.71 | — | — | |
| SCHEMBL7574257 | 0.69 | — | — | |
| SCHEMBL10734280 | 0.69 | — | — | |
| SCHEMBL6370939 | 0.67 | — | — | |
| SCHEMBL4595567 | 0.66 | TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2752415-B1 | Fluorinated ligands for targeting peripheral benzodiazepine receptors | AUSTRALIAN NUCLEAR SCIENCE & TECH ORGANISATION (AU) | 2017-10-11 | — | — | EP | disclosed |
| EP-2752415-A1 | Fluorinated ligands for targeting peripheral benzodiazepine receptors | AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION (AU) | 2014-07-09 | — | — | EP | disclosed |
| US-20100209345-A1 | Fluorinated Ligands for Targeting Peripheral Benzodiazepine Receptors | AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION | 2010-08-19 | — | — | US | disclosed |