⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22236679 | 0.95 | — | — | |
| SCHEMBL18505803 | 0.81 | CD69 (0.36) | — | |
| SCHEMBL20121198 | 0.77 | CD69 (0.34) | — | |
| SCHEMBL20121194 | 0.75 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL20121197 | 0.73 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL14093080 | 0.71 | CD69 (0.34) | — | |
| SCHEMBL18505802 | 0.70 | CD69 (0.36) | — | |
| SCHEMBL2626904 | 0.65 | GSTA1 (0.43) | — | |
| SCHEMBL2626909 | 0.65 | GSTA1 (0.43) | — | |
| SCHEMBL2626907 | 0.65 | GSTA1 (0.43) | — |
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-20180215882-A1 | SWELLABLE AND INSOLUBLE NANOFIBERS AND USE THEREOF IN THE TREATMENT OF ESSENTIALLY AQUEOUS EFFLUENTS | AJELIS (FR) | 2018-08-02 | — | — | US | disclosed |