⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14453240 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL2210287 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL5819682 | 0.69 | PTGER4 (0.36) | — | |
| SCHEMBL24795959 | 0.68 | PDK2 (0.41) | — | |
| SCHEMBL1401084 | 0.68 | PDK2 (0.41) | — | |
| SCHEMBL24795958 | 0.68 | TP53 (0.38) | — | |
| SCHEMBL1401064 | 0.68 | TP53 (0.38) | — | |
| SCHEMBL22443719 | 0.68 | HCRTR1 (0.48) | — | |
| SCHEMBL22443722 | 0.68 | HCRTR1 (0.48) | — | |
| SCHEMBL28523662 | 0.68 | FKBP1A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7238710-B2 | EP4 receptor agonist, compositions and methods thereof | MERCK FROSST CANADA, LTD. (CA) | 2007-07-03 | — | — | US | disclosed |