⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22314737 | 0.84 | ACHE (0.35) | — | |
| SCHEMBL21465897 | 0.78 | EPHX1 (0.32) | — | |
| SCHEMBL26759985 | 0.74 | — | — | |
| SCHEMBL26192652 | 0.74 | — | — | |
| SCHEMBL26759929 | 0.73 | MEN1 (0.35) | — | |
| SCHEMBL23080162 | 0.72 | ACHE (0.34) | — | |
| SCHEMBL20980231 | 0.72 | ADRB2 (0.32) | — | |
| SCHEMBL15469229 | 0.71 | GFPT1 (0.38) | — | |
| SCHEMBL29500239 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL26759934 | 0.69 | ADRB2 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10442789-B2 | Modified amino acids comprising tetrazine functional groups, methods of preparation, and methods of their use | SUTRO BIOPHARMA, INC. (US) | 2019-10-15 | — | — | US | disclosed |