⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4420230 | 0.80 | CES2 (0.33) | — | |
| SCHEMBL7724583 | 0.76 | DBH (0.37) | — | |
| SCHEMBL11218287 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL6362215 | 0.76 | — | — | |
| SCHEMBL1515006 | 0.76 | CA12 (0.31) | — | |
| SCHEMBL25418829 | 0.76 | CYP3A4 (0.33) | — | |
| SCHEMBL7366478 | 0.75 | GABRA1 (0.39) | — | |
| SCHEMBL1153261 | 0.74 | — | — | |
| SCHEMBL7019659 | 0.72 | — | — | |
| SCHEMBL37950 | 0.72 | MEN1 (0.35) | — |
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-1426361-B1 | Novel composition containing a bi-cyclic compound and a glyceride | SUCAMPO AG (CH) | 2008-07-30 | — | — | EP | claimed |
| EP-1426361-B1 | Novel composition containing a bi-cyclic compound and a glyceride | SUCAMPO AG (CH) | 2008-07-30 | — | — | EP | disclosed |