⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10703569 | 0.81 | — | — | |
| SCHEMBL11883173 | 0.77 | — | — | |
| SCHEMBL176455 | 0.75 | — | — | |
| Water SCHEMBL7203461 | 0.73 | — | — | |
| Bromide SCHEMBL11269881 | 0.73 | — | — | |
| Fumaric Acid SCHEMBL11261809 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL11404424 | 0.61 | — | — | |
| SCHEMBL7362965 | 0.60 | — | — | |
| SCHEMBL6319404 | 0.59 | — | — | |
| SCHEMBL29402722 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6034256-A | CYCLOOXYGEASE INHIBITOR | G.D. SEARLE & CO. (US) | 2000-03-07 | — | — | US | disclosed |
| EP-0009386-B1 | 2,10-DISUBSTITUTED DIBENZO(B,D)PYRANS AND BENZO(C)QUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF | PFIZER INC. (US) | 1982-11-17 | — | — | EP | disclosed |
| US-4206225-A | ANALGESICS | PFIZER INC. (US) | 1980-06-03 | — | — | US | disclosed |
| EP-0009386-A1 | 2,10-Disubstituted dibenzo(b,d)pyrans and benzo(c)quinolines and pharmaceutical compositions thereof | PFIZER INC. (US) | 1980-04-02 | — | — | EP | disclosed |