⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21268215 | 0.85 | ALDH1A1 (0.40) | — | |
| SCHEMBL1230707 | 0.84 | RXRA (0.40) | — | |
| SCHEMBL5471399 | 0.81 | CTSS (0.38) | — | |
| SCHEMBL21268266 | 0.80 | S1PR1 (0.40) | — | |
| SCHEMBL21268228 | 0.80 | AR (0.43) | — | |
| SCHEMBL933046 | 0.80 | TRPA1 (0.40) | — | |
| SCHEMBL1069020 | 0.79 | HSD11B1 (0.34) | — | |
| SCHEMBL3324332 | 0.78 | RXRA (0.50) | — | |
| SCHEMBL330035 | 0.77 | AR (0.36) | — | |
| SCHEMBL5688192 | 0.75 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011005295-A1 | MODULATORS OF THE SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2011-01-13 | — | — | WO | claimed |
| WO-2011005295-A1 | MODULATORS OF THE SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2011-01-13 | — | — | WO | disclosed |