⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3266280 | 0.83 | — | — | |
| SCHEMBL5057324 | 0.72 | — | — | |
| SCHEMBL26187546 | 0.71 | — | — | |
| SCHEMBL2953096 | 0.70 | — | — | |
| SCHEMBL313598 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL992012 | 0.67 | — | — | |
| SCHEMBL7458307 | 0.65 | — | — | |
| SCHEMBL7858703 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL252367 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL7262903 | 0.65 | TSHR (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0998280-A4 | CARBOHYDRATE SCAFFOLD COMPOUNDS AND LIBRARIES | INCARA PHARMACEUTICALS CORP (US) | 2002-11-06 | — | — | EP | disclosed |
| EP-0998280-A1 | CARBOHYDRATE SCAFFOLD COMPOUNDS AND LIBRARIES | Incara Pharmaceuticals Corp. (US) | 2000-05-10 | — | — | EP | disclosed |
| WO-1999061583-A2 | CARBOHYDRATE-BASED SCAFFOLD COMPOUNDS, COMBINATORIAL LIBRARIES AND METHODS FOR THEIR CONSTRUCTION | INCARA PHARMACEUTICALS CORP. (US) | 1999-12-02 | — | — | WO | disclosed |
| WO-1998053813-A1 | CARBOHYDRATE SCAFFOLD COMPOUNDS AND LIBRARIES | INCARA PHARMACEUTICALS CORP. (US) | 1998-12-03 | — | — | WO | disclosed |