⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6170313 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL1166692 | 0.76 | AR (0.30) | — | |
| SCHEMBL6171579 | 0.75 | CBLB (0.36) | — | |
| SCHEMBL331280 | 0.73 | NOS3 (0.39) | — | |
| SCHEMBL7499934 | 0.72 | CTSA (0.31) | — | |
| SCHEMBL6171364 | 0.72 | APLNR (0.31) | — | |
| SCHEMBL1940995 | 0.71 | GSK3B (0.40) | — | |
| SCHEMBL1940488 | 0.70 | AAK1 (0.35) | — | |
| SCHEMBL5222824 | 0.69 | MYC (0.31) | — | |
| SCHEMBL6169010 | 0.69 | PTGS1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | disclosed |
| US-6608070-B1 | Useful for treatment of medical condition in which prostaglandins are implicated as pathogens | NAKAO KAZUNARI (JP) | 2003-08-19 | — | — | US | disclosed |
| EP-1045833-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER INC. (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-1999035130-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-07-15 | — | — | WO | disclosed |