⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1202749 | 0.96 | — | — | |
| SCHEMBL2123373 | 0.89 | — | — | |
| SCHEMBL38323 | 0.89 | — | — | |
| SCHEMBL944205 | 0.86 | — | — | |
| SCHEMBL3420142 | 0.84 | — | — | |
| SCHEMBL1383553 | 0.82 | — | — | |
| SCHEMBL580747 | 0.82 | — | — | |
| SCHEMBL332601 | 0.82 | — | — | |
| SCHEMBL10351259 | 0.75 | — | — | |
| SCHEMBL5682444 | 0.72 | L3MBTL1 (0.38) | — |
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-2558067-A2 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE | Chromocell Corporation (US) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011130707-A2 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE | CHROMOCELL CORPORATION (US) | 2011-10-20 | — | — | WO | disclosed |