⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL202703 | 0.88 | — | — | |
| SCHEMBL6579117 | 0.82 | — | — | |
| Fluoride SCHEMBL28114248 | 0.82 | — | — | |
| Barium SCHEMBL6681067 | 0.82 | — | — | |
| SCHEMBL2919050 | 0.82 | — | — | |
| SCHEMBL9773908 | 0.82 | — | — | |
| SCHEMBL2759622 | 0.76 | — | — | |
| Benzene SCHEMBL27966902 | 0.74 | CA4 (0.33) | — | |
| Trimethylammonium SCHEMBL27396782 | 0.74 | — | — | |
| Cyclohexane SCHEMBL7065344 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2414431-A1 | THINNERS FOR AQUEOUS SUSPENSIONS OF MINERAL PARTICLES AND HYDRAULIC BINDER PASTES | Chryso (FR) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010112775-A1 | THINNERS FOR AQUEOUS SUSPENSIONS OF MINERAL PARTICLES AND HYDRAULIC BINDER PASTES | CHRYSO (FR) | 2010-10-07 | — | — | WO | disclosed |