⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17791421 | 0.94 | — | — | |
| SCHEMBL7918381 | 0.71 | — | — | |
| SCHEMBL35987 | 0.50 | — | — | |
| SCHEMBL8844858 | 0.50 | — | — | |
| SCHEMBL14286760 | 0.47 | GBA1 (0.36) | — | |
| SCHEMBL14564517 | 0.47 | GBA1 (0.36) | — | |
| SCHEMBL16578085 | 0.47 | GBA1 (0.36) | — | |
| SCHEMBL16381564 | 0.47 | — | — | |
| SCHEMBL259182 | 0.41 | — | — | |
| Lithium Ion SCHEMBL6890378 | 0.41 | — | — |
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-6588797-B1 | Air bag; inorganic salt oxidizer and a fuel; fuel is3-R1-6-R2-1,2,4,5-tetrazine-1,4, dioxide | TRW INC. | 2003-07-08 | — | — | US | disclosed |