⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21001040 | 0.87 | — | — | |
| SCHEMBL19293691 | 0.70 | — | — | |
| SCHEMBL11501517 | 0.65 | — | — | |
| SCHEMBL28599007 | 0.64 | HSD17B10 (0.30) | — | |
| SCHEMBL5443247 | 0.63 | CYP1A2 (0.55) | — | |
| SCHEMBL5443243 | 0.63 | CYP1A2 (0.55) | — | |
| SCHEMBL5443250 | 0.63 | CYP1A2 (0.55) | — | |
| SCHEMBL19601685 | 0.62 | USP2 (0.55) | — | |
| Hydrochloric Acid SCHEMBL5691799 | 0.61 | CYP1A2 (0.53) | — | |
| SCHEMBL3111535 | 0.61 | — | — |
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-3713609-A2 | SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS | Firmenich SA (CH) | 2020-09-30 | — | — | EP | disclosed |
| EP-3713610-A2 | USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR | 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 |