⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9279784 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL9283706 | 0.68 | LMNA (0.39) | — | |
| SCHEMBL8448128 | 0.64 | — | — | |
| SCHEMBL28076834 | 0.64 | — | — | |
| SCHEMBL27477557 | 0.63 | NEK2 (0.30) | — | |
| SCHEMBL27330982 | 0.61 | — | — | |
| SCHEMBL8713260 | 0.60 | — | — | |
| SCHEMBL28196427 | 0.59 | — | — | |
| SCHEMBL3896059 | 0.58 | MAPT (0.30) | — | |
| SCHEMBL4972258 | 0.58 | ALOX5 (0.31) | — |
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-0635010-A1 | NOVEL CARDIOPROTECTIVE AGENTS. | MERRELL DOW PHARMA (US) | 1995-01-25 | — | — | EP | claimed |
| WO-1993020058-A1 | NOVEL CARDIOPROTECTIVE AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-10-14 | — | — | WO | claimed |