⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8993497 | 0.82 | CSF1R (0.31) | — | |
| SCHEMBL8993563 | 0.69 | PTGS2 (0.35) | — | |
| SCHEMBL8993549 | 0.65 | PTGES2 (0.36) | — | |
| SCHEMBL8993525 | 0.59 | LRRK2 (0.32) | — | |
| SCHEMBL8993439 | 0.57 | PIM1 (0.37) | — | |
| SCHEMBL8993599 | 0.56 | PTGS2 (0.49) | — | |
| SCHEMBL6733073 | 0.54 | PTGES2 (0.49) | — | |
| SCHEMBL11891646 | 0.53 | CXCR5 (0.37) | — | |
| SCHEMBL604266 | 0.53 | TYMP (0.40) | — | |
| SCHEMBL15048839 | 0.53 | TYMP (0.40) | — |
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-0724566-A1 | 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995011883-A1 | 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-05-04 | — | — | WO | disclosed |