⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27670649 | 0.77 | CYP2C19 (0.31) | — | |
| SCHEMBL2419343 | 0.77 | CYP2C19 (0.32) | — | |
| SCHEMBL873448 | 0.77 | CYP2C19 (0.32) | — | |
| SCHEMBL10718408 | 0.76 | MEN1 (0.31) | — | |
| SCHEMBL11741874 | 0.75 | CYP2C19 (0.31) | — | |
| SCHEMBL11741871 | 0.75 | CYP2C19 (0.31) | — | |
| SCHEMBL11741880 | 0.75 | CYP2C19 (0.31) | — | |
| SCHEMBL22441539 | 0.71 | CPB2 (0.34) | — | |
| SCHEMBL11722599 | 0.71 | CYP2C19 (0.30) | — | |
| SCHEMBL21001038 | 0.70 | CYP4F2 (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3713609-A2 | SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS | Firmenich SA (CH) | 2020-09-30 | — | — | EP | claimed |
| EP-3713610-A2 | USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR | Firmenich SA (CH) | 2020-09-30 | — | — | EP | claimed |
| WO-2019101814-A2 | SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS | FIRMENICH SA (CH) | 2019-05-31 | — | — | WO | claimed |
| WO-2019101821-A2 | USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR | FIRMENICH SA (CH) | 2019-05-31 | — | — | WO | claimed |
| EP-3713610-A2 | USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR | Firmenich SA (CH) | 2020-09-30 | — | — | EP | disclosed |
| EP-3713609-A2 | SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS | Firmenich SA (CH) | 2020-09-30 | — | — | EP | disclosed |
| WO-2019101814-A2 | SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS | FIRMENICH SA (CH) | 2019-05-31 | — | — | WO | disclosed |
| WO-2019101821-A2 | USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR | FIRMENICH SA (CH) | 2019-05-31 | — | — | WO | disclosed |