⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL444695 | 0.65 | — | — | |
| SCHEMBL689553 | 0.65 | — | — | |
| SCHEMBL2834126 | 0.60 | — | — | |
| Acetic Acid SCHEMBL5037744 | 0.58 | NOS3 (0.70) | — | |
| Acetic Acid SCHEMBL8037754 | 0.53 | FFAR3 (0.54) | — | |
| Tetrahydrothiophene SCHEMBL9620648 | 0.51 | — | — | |
| Acetone SCHEMBL2671738 | 0.45 | — | — | |
| Acetone SCHEMBL7459124 | 0.43 | — | — | |
| Acetone SCHEMBL5665105 | 0.43 | LMNA (1.00) | — | |
| Acetone SCHEMBL10051943 | 0.43 | — | — |
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 |