⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21577162 | 0.64 | — | — | |
| SCHEMBL22507711 | 0.64 | — | — | |
| SCHEMBL18792990 | 0.64 | — | — | |
| SCHEMBL24828714 | 0.63 | — | — | |
| SCHEMBL12088620 | 0.62 | — | — | |
| SCHEMBL18676072 | 0.61 | — | — | |
| SCHEMBL18435070 | 0.60 | — | — | |
| SCHEMBL21137822 | 0.58 | CYP1A2 (0.36) | — | |
| SCHEMBL308349 | 0.57 | — | — | |
| SCHEMBL4203480 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4098642-A1 | MELTABLE/CASTABLE EXPLOSIVE COMPOSITION AND METHOD FOR MANUFACTURING SAME | THALES (FR) | 2022-12-07 | — | — | EP | disclosed |