⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18662530 | 0.87 | — | — | |
| SCHEMBL6804069 | 0.72 | — | — | |
| SCHEMBL7970671 | 0.69 | — | — | |
| SCHEMBL181823 | 0.65 | — | — | |
| SCHEMBL6069759 | 0.61 | ALDH1A1 (0.33) | — | |
| Chloroform SCHEMBL7067628 | 0.59 | ALDH1A1 (0.32) | — | |
| Chloroform SCHEMBL2454480 | 0.59 | ALDH1A1 (0.32) | — | |
| Chloroform SCHEMBL2457679 | 0.59 | ALDH1A1 (0.32) | — | |
| Chloroform SCHEMBL7066821 | 0.59 | ALDH1A1 (0.32) | — | |
| Chloroform SCHEMBL7070638 | 0.59 | ALDH1A1 (0.32) | — |
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-0643695-B1 | FUNGICIDAL INDOLE DERIVATIVES | SHELL INT RESEARCH (NL) | 1996-08-14 | — | — | EP | disclosed |