⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11119104 | 0.80 | — | — | |
| SCHEMBL31531436 | 0.72 | — | — | |
| SCHEMBL367024 | 0.68 | — | — | |
| SCHEMBL5485611 | 0.68 | CDC7 (0.30) | — | |
| SCHEMBL456737 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL175905 | 0.65 | — | — | |
| SCHEMBL15719994 | 0.62 | — | — | |
| SCHEMBL1703128 | 0.61 | — | — | |
| SCHEMBL10824003 | 0.61 | KDM4E (0.42) | — | |
| SCHEMBL15546478 | 0.61 | — | — |
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-9533957-B2 | Tetrazines and method of synthezising the same | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-01-03 | — | — | US | disclosed |
| US-20150099277-A1 | NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2015-04-09 | — | — | US | disclosed |
| WO-2013152359-A1 | NOVEL TETRAZINES AND METHOD OF SYNTHESIZING THE SAME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-10-10 | — | — | WO | disclosed |