⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18068279 | 1.00 | — | — | |
| SCHEMBL1920670 | 1.00 | — | — | |
| SCHEMBL11215506 | 0.85 | — | — | |
| SCHEMBL9059809 | 0.85 | — | — | |
| SCHEMBL17196964 | 0.85 | — | — | |
| SCHEMBL14932687 | 0.83 | GRIN2D (0.55) | — | |
| SCHEMBL18077999 | 0.79 | — | — | |
| SCHEMBL5675800 | 0.79 | — | — | |
| SCHEMBL15100838 | 0.78 | NOS1 (0.34) | — | |
| SCHEMBL18597612 | 0.78 | — | — |
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-2326327-A2 | ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION | SRI International (US) | 2011-06-01 | — | — | EP | disclosed |
| WO-2010033198-A2 | ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION | SRI INTERNATIONAL (US) | 2010-03-25 | — | — | WO | disclosed |