⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27294293 | 0.73 | — | — | |
| SCHEMBL9352627 | 0.73 | — | — | |
| SCHEMBL27280457 | 0.73 | — | — | |
| SCHEMBL27306956 | 0.73 | — | — | |
| SCHEMBL9338929 | 0.71 | — | — | |
| SCHEMBL6283190 | 0.71 | — | — | |
| Water SCHEMBL27280458 | 0.71 | — | — | |
| SCHEMBL8742114 | 0.71 | MAOB (0.35) | — | |
| Trimethylammonium SCHEMBL27743227 | 0.71 | — | — | |
| SCHEMBL3414986 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5885921-A | REACTING PARTICLES OF PYROGENIC, HYDROGENIC HYDROPHOBIC SILICA CONTAINING AN ALKYL OR ARYL OR ARYALKYL OR ALKYLENE GROUP ATTACHED TO SILICON OF SILICA WITH AN ALCOHOL, WASHING THE TREATED HYDROPHOBIC SILICA, CAPABLE OF BINDING LIPIDS | LIGOCHEM, INC. (US) | 1999-03-23 | — | — | US | disclosed |
| WO-1998029187-A1 | HYDROPHOBIC SILICA ADSORBENTS FOR LIPIDS | LIGOCHEM, INC. (US) | 1998-07-09 | — | — | WO | disclosed |