⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15321138 | 0.71 | — | — | |
| SCHEMBL22800311 | 0.62 | CHRNB2 (0.36) | — | |
| SCHEMBL18771201 | 0.59 | — | — | |
| P-Xylene SCHEMBL28359965 | 0.56 | ALDH1A1 (0.55) | — | |
| SCHEMBL2072660 | 0.56 | TPMT (0.52) | — | |
| SCHEMBL10063474 | 0.54 | — | — | |
| SCHEMBL2930249 | 0.54 | ALDH1A1 (0.31) | — | |
| SCHEMBL3795408 | 0.54 | ALDH1A1 (0.31) | — | |
| SCHEMBL31512106 | 0.53 | — | — | |
| SCHEMBL13612438 | 0.51 | — | — |
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 |
| US-20150099277-A1 | NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2015-04-09 | — | — | US | disclosed |