Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL24475288 | 0.76 | CYP3A4 (0.33) | — | |
| SCHEMBL5199050 | 0.76 | CYP3A4 (0.33) | — | |
| Acetic Acid SCHEMBL30441222 | 0.75 | — | — | |
| SCHEMBL5200052 | 0.75 | CYP3A4 (0.34) | ESR1NR1I2HSD11B1 | |
| SCHEMBL21035809 | 0.75 | CYP3A4 (0.34) | ESR1NR1I2HSD11B1 | |
| SCHEMBL30442155 | 0.75 | CYP3A4 (0.34) | ESR1NR1I2HSD11B1 | |
| SCHEMBL5201767 | 0.72 | — | — | |
| SCHEMBL22614807 | 0.68 | UGT2B7 (0.32) | — | |
| SCHEMBL22614817 | 0.67 | UGT2B7 (0.31) | — | |
| SCHEMBL21001226 | 0.67 | TRPA1 (0.30) | — |
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-1411110-B1 | Spiro compounds as perfuming ingredients | FIRMENICH & CIE (CH) | 2007-08-22 | — | — | EP | claimed |
| US-12024690-B2 | Method of countering malodour in a washing machine comprising the addition of a fragrance precursor accord comprising 4-(dodecylthio)-4-methylpentan-2-one | GIVAUDAN SA (CH) | 2024-07-02 | — | — | US | disclosed |