⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10709363 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL348320 | 0.76 | — | — | |
| SCHEMBL348319 | 0.76 | — | — | |
| SCHEMBL348263 | 0.72 | CES1 (0.42) | — | |
| SCHEMBL348264 | 0.72 | CES1 (0.42) | — | |
| SCHEMBL347809 | 0.69 | — | — | |
| SCHEMBL347810 | 0.69 | — | — | |
| SCHEMBL21649455 | 0.69 | — | — | |
| SCHEMBL21649523 | 0.63 | — | — | |
| SCHEMBL9487219 | 0.63 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9005689-B2 | Process for the preparation of a flavor active composition | NESTEC S.A. (CH) | 2015-04-14 | — | — | US | disclosed |
| US-20120141643-A1 | FLAVOUR ACTIVE COMPOSITION | NESTEC S.A. (CH) | 2012-06-07 | — | — | US | disclosed |