⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12588093 | 0.80 | — | — | |
| SCHEMBL5598637 | 0.62 | — | — | |
| SCHEMBL17677261 | 0.62 | — | — | |
| SCHEMBL7122173 | 0.61 | — | — | |
| SCHEMBL2152285 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL5425235 | 0.59 | — | — | |
| SCHEMBL1773551 | 0.57 | — | — | |
| SCHEMBL13880908 | 0.56 | — | — | |
| SCHEMBL27702427 | 0.56 | — | — | |
| SCHEMBL2151959 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009043013-A2 | BENZYL-CYCLOALKYL SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2009-04-02 | — | — | WO | disclosed |