⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6740005 | 1.00 | — | — | |
| SCHEMBL4837001 | 1.00 | — | — | |
| Fluoride SCHEMBL28986537 | 0.97 | KDM1A (0.33) | — | |
| SCHEMBL812073 | 0.97 | — | — | |
| SCHEMBL465101 | 0.88 | — | — | |
| SCHEMBL8564055 | 0.85 | HDAC3 (0.31) | — | |
| Dioxane SCHEMBL8867723 | 0.85 | KDM1A (0.30) | — | |
| SCHEMBL1685089 | 0.73 | — | — | |
| SCHEMBL6014655 | 0.71 | KDM1A (0.39) | — | |
| SCHEMBL15904034 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10434197-B2 | Tetrazine-trans-cyclooctene ligation for the rapid construction of radionuclide labeled probes | UNIVERSITY OF DELAWARE (US) | 2019-10-08 | — | — | US | disclosed |
| EP-2595967-B1 | TETRAZINE-TRANS-CYCLOOCTENE LIGATION FOR THE RAPID CONSTRUCTION OF RADIONUCLIDE LABELED PROBES | UNIV DELAWARE (US) | 2016-03-23 | — | — | EP | disclosed |
| US-20150359913-A1 | TETRAZINES/TRANS-CYCLOOCTENES IN SOLID PHASE SYNTHESIS OF LABELED PEPTIDES | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2015-12-17 | — | — | US | disclosed |
| 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 |
| EP-2595967-A2 | TETRAZINE-TRANS-CYCLOOCTENE LIGATION FOR THE RAPID CONSTRUCTION OF RADIONUCLIDE LABELED PROBES | University Of Delaware (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012012612-A2 | TETRAZINE-TRANS-CYCLOOCTENE LIGATION FOR THE RAPID CONSTRUCTION OF RADIONUCLIDE LABELED PROBES | UNIVERSITY OF DELAWARE (US) | 2012-01-26 | — | — | WO | disclosed |
| US-6686509-B2 | Process for producing α, α-difluorocycloalkane compound | MITSUI CHEMICALS, INC. (JP) | 2004-02-03 | — | — | US | disclosed |
| US-20030078460-A1 | Process for producing alpha, alpha-difluorocycloalkane compound | MITSUI CHEMICALS, INC. (JP) | 2003-04-24 | — | — | US | disclosed |