⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL586311 | 0.96 | — | — | |
| Cadaverine Tartrate SCHEMBL586245 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL13088904 | 0.75 | — | — | |
| SCHEMBL765716 | 0.75 | — | — | |
| SCHEMBL5369505 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL755298 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3934119 | 0.72 | — | — | |
| SCHEMBL31143751 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3931726 | 0.72 | — | — | |
| SCHEMBL31143808 | 0.69 | — | — |
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-2417122-A1 | INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT | PTC Therapeutics, Inc. (US) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010117932-A1 | INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT | SCHERING CORPORATION (US) | 2010-10-14 | — | — | WO | disclosed |