⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1396737 | 0.83 | CYP1A2 (0.31) | — | |
| SCHEMBL9306362 | 0.81 | CPB2 (0.30) | — | |
| SCHEMBL27237559 | 0.81 | CPB2 (0.30) | — | |
| Propionic Acid SCHEMBL1044207 | 0.80 | — | — | |
| SCHEMBL31141331 | 0.80 | IDO1 (0.32) | — | |
| SCHEMBL1396689 | 0.80 | IDO1 (0.32) | — | |
| SCHEMBL13209034 | 0.80 | IDO1 (0.32) | — | |
| SCHEMBL2735995 | 0.80 | IDO1 (0.32) | — | |
| SCHEMBL6774632 | 0.79 | CDC25A (0.35) | — | |
| Cyclopropane Carboxylic Acid SCHEMBL3008327 | 0.79 | APLNR (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3262148-B1 | A SYNERGISTIC PERFUMING COMPOSITION | FIRMENICH & CIE (CH) | 2018-11-07 | — | — | EP | claimed |
| EP-2652102-B1 | MOC COMPOSITIONS | GIVAUDAN SA (CH) | 2016-09-14 | — | — | EP | claimed |
| EP-3434330-A1 | A METHOD FOR ENHANCING THE COOLING EFFECT OF A COOLING COMPOUND | Symrise AG (DE) | 2019-01-30 | — | — | EP | disclosed |
| WO-2011020909-A2 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2011-02-24 | — | — | WO | disclosed |