⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16918635 | 0.78 | — | — | |
| SCHEMBL16639205 | 0.72 | — | — | |
| SCHEMBL14864451 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL996896 | 0.67 | — | — | |
| SCHEMBL16362140 | 0.65 | — | — | |
| SCHEMBL17483810 | 0.65 | — | — | |
| SCHEMBL4272328 | 0.64 | — | — | |
| SCHEMBL15251123 | 0.63 | — | — | |
| SCHEMBL11668902 | 0.63 | TSHR (0.30) | — | |
| SCHEMBL14823512 | 0.62 | TSHR (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2697857-B1 | SPECIFIC PHOSPHONATED COPOLYMERS AND INORGANIC PARTICLES GRAFTED BY SAID COPOLYMERS | COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2015-02-18 | — | — | EP | disclosed |