⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5872179 | 0.88 | MEN1 (0.37) | — | |
| SCHEMBL5871988 | 0.83 | CYP1A2 (0.33) | — | |
| SCHEMBL5871212 | 0.81 | PPARA (0.38) | — | |
| SCHEMBL5973112 | 0.77 | TRPA1 (0.30) | — | |
| SCHEMBL8879657 | 0.76 | TYR (0.42) | — | |
| SCHEMBL10514349 | 0.75 | — | — | |
| SCHEMBL8880073 | 0.75 | PTGES2 (0.35) | — | |
| SCHEMBL8880522 | 0.74 | ESR1 (0.41) | — | |
| SCHEMBL21475358 | 0.73 | TRPA1 (0.36) | — | |
| SCHEMBL6160182 | 0.72 | SLC6A2 (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-0496548-A1 | Carbacyclin analogs | PURDUE RESEARCH FOUNDATION (US) | 1992-07-29 | — | — | EP | disclosed |