⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2367455 | 0.84 | GRIN2B (0.30) | — | |
| SCHEMBL239129 | 0.84 | GRIN2B (0.30) | — | |
| SCHEMBL7438886 | 0.81 | NPSR1 (0.33) | — | |
| SCHEMBL17259076 | 0.81 | HSD11B1 (0.36) | — | |
| SCHEMBL15855789 | 0.81 | — | — | |
| SCHEMBL17801011 | 0.80 | DGAT1 (0.33) | — | |
| SCHEMBL82277 | 0.79 | — | — | |
| SCHEMBL15418004 | 0.78 | — | — | |
| SCHEMBL1150705 | 0.78 | — | — | |
| SCHEMBL3190616 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2451297-B1 | FLAVORING COMPOSITIONS FOR SAVORY APPLICATIONS | FIRMENICH & CIE (CH) | 2013-07-03 | — | — | EP | disclosed |
| EP-2451297-A2 | FLAVORING COMPOSITIONS FOR SAVORY APPLICATIONS | Firmenich S.A. (CH) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011006080-A2 | FLAVORING COMPOSITIONS FOR SAVORY APPLICATIONS | FIRMENICH SA (CH) | 2011-01-13 | — | — | WO | disclosed |