⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7950822 | 0.92 | — | — | |
| SCHEMBL2924829 | 0.88 | — | — | |
| SCHEMBL23367511 | 0.81 | — | — | |
| SCHEMBL1056660 | 0.72 | — | — | |
| SCHEMBL1633195 | 0.70 | — | — | |
| SCHEMBL23579427 | 0.70 | — | — | |
| SCHEMBL1327666 | 0.67 | — | — | |
| SCHEMBL1326477 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL12304972 | 0.67 | — | — | |
| SCHEMBL341929 | 0.67 | — | — |
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 5 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 |
| WO-1996033181-A1 | ETHYNYLTHIAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1996-10-24 | — | — | WO | disclosed |