⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28157824 | 1.00 | — | — | |
| SCHEMBL973070 | 0.96 | — | — | |
| SCHEMBL4303682 | 0.96 | — | — | |
| SCHEMBL1890782 | 0.93 | — | — | |
| SCHEMBL17099923 | 0.93 | — | — | |
| SCHEMBL5305550 | 0.93 | — | — | |
| SCHEMBL23039656 | 0.93 | — | — | |
| SCHEMBL11635281 | 0.93 | — | — | |
| Iodide SCHEMBL8817348 | 0.93 | — | — | |
| Bromide SCHEMBL6151546 | 0.93 | — | — |
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-20050201890-A1 | Composition for the controlled release of inhibitors for corrosion, biofouling, and scaling | THE BOEING COMPANY | 2005-09-15 | — | — | US | disclosed |