⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL597558 | 0.93 | — | — | |
| SCHEMBL11791243 | 0.86 | — | — | |
| SCHEMBL10626853 | 0.86 | — | — | |
| Nitrous Acid SCHEMBL1924350 | 0.57 | — | — | |
| SCHEMBL359299 | 0.57 | — | — | |
| SCHEMBL1631814 | 0.54 | — | — | |
| SCHEMBL809291 | 0.51 | — | — | |
| SCHEMBL168279 | 0.51 | — | — | |
| Bromide SCHEMBL9060675 | 0.51 | — | — | |
| SCHEMBL1470083 | 0.46 | — | — |
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-4336085-A | MODIFYING THE DETONATION VELOCITY | WALKER FRANKLIN E | 1982-06-22 | — | — | US | disclosed |