⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11529807 | 0.77 | — | — | |
| SCHEMBL8686787 | 0.77 | KDM1A (0.31) | — | |
| SCHEMBL7644454 | 0.71 | MAPT (0.31) | — | |
| SCHEMBL1463658 | 0.71 | MAPT (0.31) | — | |
| SCHEMBL23182676 | 0.67 | DRD2 (0.36) | — | |
| SCHEMBL1049799 | 0.66 | MAPT (0.30) | — | |
| SCHEMBL7638158 | 0.66 | MAPT (0.30) | — | |
| SCHEMBL7638154 | 0.66 | MAPT (0.30) | — | |
| SCHEMBL481597 | 0.66 | MAPT (0.30) | — | |
| SCHEMBL7637190 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20250034565-A1 | GLYCAN CONJUGATE COMPOSITIONS AND METHODS | GANNA BIO, INC. | 2025-01-30 | — | — | 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 |