⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4978596 | 0.76 | CA1 (0.30) | — | |
| SCHEMBL13728548 | 0.72 | — | — | |
| SCHEMBL30770099 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL1527800 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL15706017 | 0.69 | — | — | |
| SCHEMBL51472 | 0.67 | — | — | |
| SCHEMBL13715233 | 0.64 | — | — | |
| SCHEMBL1527799 | 0.64 | — | — | |
| SCHEMBL10321354 | 0.63 | — | — | |
| SCHEMBL635121 | 0.63 | CA1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8735414-B2 | Indole derivatives and methods for antiviral treatment | PTC THERAPEUTICS, INC. (US) | 2014-05-27 | — | — | US | disclosed |
| US-20120184574-A1 | INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT | PTC THERAPEUTICS, INC. (US) | 2012-07-19 | — | — | US | disclosed |