⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6008386 | 0.78 | — | — | |
| SCHEMBL1816379 | 0.71 | — | — | |
| Bromide SCHEMBL6700092 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL28981296 | 0.69 | — | — | |
| SCHEMBL5225954 | 0.69 | — | — | |
| SCHEMBL5489830 | 0.68 | — | — | |
| SCHEMBL7257125 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL9853413 | 0.67 | — | — | |
| SCHEMBL4246626 | 0.67 | — | — | |
| SCHEMBL16613161 | 0.66 | — | — |
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-4212966-A | AGITATING MELT WITH SURFACTANT TO FORM DISPERSION | NATIONAL DISTILLERS & CHEMICAL CORPORATION (US) | 1980-07-15 | — | — | US | disclosed |