⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL571343 | 0.97 | — | — | |
| SCHEMBL20187242 | 0.86 | — | — | |
| Propane SCHEMBL27533742 | 0.78 | — | — | |
| Butane SCHEMBL3984103 | 0.78 | — | — | |
| SCHEMBL2452116 | 0.78 | — | — | |
| SCHEMBL20187244 | 0.73 | — | — | |
| SCHEMBL441975 | 0.73 | — | — | |
| SCHEMBL37612 | 0.73 | — | — | |
| SCHEMBL9788071 | 0.73 | — | — | |
| Hexane SCHEMBL1115996 | 0.72 | TSHR (0.50) | — |
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-2600967-A2 | FUNCTIONALIZED CHROMATOGRAPHIC MATERIALS AND METHODS OF MAKING AND USING THEREFOR | Brown University (US) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012019134-A2 | FUNCTIONALIZED CHROMATOGRAPHIC MATERIALS AND METHODS OF MAKING AND USING THEREFOR | BROWN UNIVERSITY (US) | 2012-02-09 | — | — | WO | disclosed |