⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2471457 | 0.76 | — | — | |
| SCHEMBL63318 | 0.75 | — | — | |
| SCHEMBL118889 | 0.71 | — | — | |
| SCHEMBL2125234 | 0.71 | — | — | |
| SCHEMBL3660106 | 0.69 | — | — | |
| SCHEMBL3660104 | 0.69 | — | — | |
| SCHEMBL17164765 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL27887210 | 0.69 | — | — | |
| SCHEMBL23292819 | 0.67 | — | — | |
| SCHEMBL21066921 | 0.67 | — | — |
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-6191220-B1 | REACTING POLYMER HAVING OLEFINIC OR ACETYLENIC UNSATURATED GROUPS WITH HYDRIDE (HYDROCARBONOXY) SILANE IN PRESENCE OF PLATINUM OR PLATINUM COMPOUND CATALYST AND SILYLATED CARBOXYLIC ACID TO FORM HYDROCARBONOXYSILYL FUNCTIONAL POLYMER | DOW CORNING ASIA, LTD. (JP) | 2001-02-20 | — | — | US | disclosed |