⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9012587 | 0.86 | — | — | |
| SCHEMBL9012696 | 0.82 | HTR2A (0.30) | — | |
| SCHEMBL9013777 | 0.72 | ALOX5AP (0.31) | — | |
| SCHEMBL3046403 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL9012933 | 0.69 | PTGS2 (0.33) | — | |
| SCHEMBL9012776 | 0.69 | PTGS2 (0.39) | — | |
| SCHEMBL9013024 | 0.68 | NOTUM (0.40) | — | |
| SCHEMBL11302129 | 0.66 | HSD11B1 (0.30) | — | |
| SCHEMBL9012598 | 0.66 | PTGS2 (0.43) | — | |
| SCHEMBL9012724 | 0.65 | EPAS1 (0.34) | — |
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-0743938-A1 | SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-11-27 | — | — | EP | disclosed |
| WO-1995021817-A1 | SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-08-17 | — | — | WO | disclosed |