⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21155578 | 0.85 | — | — | |
| SCHEMBL6548521 | 0.78 | — | — | |
| SCHEMBL13983442 | 0.78 | — | — | |
| SCHEMBL16392757 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL18534256 | 0.74 | CYP1A2 (0.36) | — | |
| SCHEMBL23792347 | 0.74 | — | — | |
| SCHEMBL4966305 | 0.74 | — | — | |
| SCHEMBL5164923 | 0.74 | — | — | |
| SCHEMBL14403079 | 0.74 | — | — | |
| SCHEMBL19325317 | 0.73 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2461683-B1 | BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS | BIOGEN IDEC INC (US) | 2015-04-29 | — | — | EP | disclosed |
| EP-1511740-B1 | PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS | LILLY CO ELI (US) | 2009-07-08 | — | — | EP | disclosed |