⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1293336 | 0.73 | GRM5 (0.45) | — | |
| SCHEMBL14732158 | 0.71 | MEN1 (0.34) | — | |
| SCHEMBL2591378 | 0.70 | KMT2A (0.41) | — | |
| SCHEMBL1293181 | 0.69 | SRD5A2 (0.32) | — | |
| SCHEMBL1293824 | 0.69 | SIGMAR1 (0.37) | — | |
| SCHEMBL2587701 | 0.69 | GRM5 (0.39) | — | |
| SCHEMBL1293136 | 0.65 | PNMT (0.34) | — | |
| SCHEMBL1293137 | 0.60 | LMNA (0.41) | — | |
| SCHEMBL16956377 | 0.60 | GABRA1 (0.35) | — | |
| SCHEMBL6219779 | 0.58 | PTGS2 (0.44) | — |
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-2011134280-A1 | COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2011-11-03 | — | — | WO | disclosed |