⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL126935 | 1.00 | — | — | |
| Benzene SCHEMBL27618299 | 0.89 | CA2 (0.38) | — | |
| SCHEMBL29088251 | 0.87 | — | — | |
| SCHEMBL1759194 | 0.79 | — | — | |
| SCHEMBL14827716 | 0.79 | APP (0.38) | — | |
| SCHEMBL353835 | 0.77 | — | — | |
| SCHEMBL18720364 | 0.75 | APP (0.32) | — | |
| SCHEMBL14992203 | 0.75 | — | — | |
| SCHEMBL709531 | 0.74 | — | — | |
| SCHEMBL5456666 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130266512-A1 | Tetrazine-trans-cyclooctene Ligation for the Rapid Construction of Radionuclide Labeled Probes | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2013-10-10 | — | — | US | disclosed |
| US-8524194-B2 | Radiolabelled MMP selective compounds | ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) | 2013-09-03 | — | — | US | disclosed |
| US-20130217920-A1 | METHOD FOR PRODUCTION OF F-18 LABELED AMYLOID BETA LIGANDS | PIRAMAL IMAGING SA (CH) | 2013-08-22 | — | — | US | disclosed |
| US-20110171133-A1 | RADIOLABELLED MMP SELECTIVE COMPOUNDS | VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) | 2011-07-14 | — | — | US | disclosed |