⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5367581 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL19741324 | 0.70 | ACHE (0.42) | — | |
| SCHEMBL4468649 | 0.69 | — | — | |
| SCHEMBL220623 | 0.68 | — | — | |
| SCHEMBL17958370 | 0.65 | — | — | |
| SCHEMBL9300490 | 0.65 | — | — | |
| SCHEMBL17985461 | 0.65 | — | — | |
| SCHEMBL9559890 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL9296935 | 0.63 | — | — | |
| SCHEMBL7199275 | 0.60 | MMP1 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0786694-A1 | Silver halide photographic light sensitive material | KONICA CORPORATION (JP) | 1997-07-30 | — | — | EP | disclosed |