⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2860591 | 0.86 | — | — | |
| SCHEMBL31190199 | 0.82 | — | — | |
| SCHEMBL16467148 | 0.80 | — | — | |
| SCHEMBL10086876 | 0.80 | — | — | |
| SCHEMBL18022048 | 0.79 | — | — | |
| SCHEMBL3433874 | 0.77 | BUB1 (0.32) | — | |
| SCHEMBL3433873 | 0.77 | BUB1 (0.32) | — | |
| SCHEMBL11545024 | 0.74 | THRB (0.35) | — | |
| SCHEMBL11341554 | 0.72 | — | — | |
| SCHEMBL7195652 | 0.71 | HPGD (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0737676-A1 | PROSTAGLANDIN DERIVATIVE, SALT THEREOF, AND USE THEREOF | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1996-10-16 | — | — | EP | disclosed |