⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8628349 | 1.00 | — | — | |
| SCHEMBL6977048 | 0.77 | IDH1 (0.32) | — | |
| SCHEMBL6977046 | 0.77 | IDH1 (0.32) | — | |
| SCHEMBL10414801 | 0.77 | MAPT (0.33) | — | |
| SCHEMBL14456031 | 0.74 | PIK3CD (0.32) | — | |
| SCHEMBL760161 | 0.69 | POLB (0.39) | — | |
| SCHEMBL760162 | 0.69 | POLB (0.39) | — | |
| SCHEMBL2540013 | 0.69 | POLB (0.39) | — | |
| SCHEMBL30229890 | 0.69 | POLB (0.39) | — | |
| SCHEMBL11093784 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0654041-B1 | PEPTIDYL 4-AMINO-2,2-DIFLUORO-3-OXO-1,6-HEXANEDIOIC ACID DERIVATIVES AS ANTIINFLAMMATORY AGENTS | PFIZER (US) | 1998-07-01 | — | — | EP | disclosed |
| EP-0654041-A1 | PEPTIDYL 4-AMINO-2,2-DIFLUORO-3-OXO-1,6-HEXANEDIOIC ACID DERIVATIVES AS ANTIINFLAMMATORY AGENTS | PFIZER INC. (US) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003480-A1 | PEPTIDYL 4-AMINO-2,2-DIFLUORO-3-OXO-1,6-HEXANEDIOIC ACID DERIVATIVES AS ANTIINFLAMMATORY AGENTS | PFIZER INC. (US) | 1994-02-17 | — | — | WO | disclosed |