⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3009236 | 0.91 | — | — | |
| SCHEMBL23159889 | 0.81 | — | — | |
| SCHEMBL13649534 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL14883391 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL440062 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL143845 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL197847 | 0.73 | ALDH1A1 (0.39) | — | |
| Acetic Acid SCHEMBL4896259 | 0.73 | CYP2C19 (0.35) | — | |
| SCHEMBL4553578 | 0.73 | MGAM (0.35) | — | |
| SCHEMBL13104282 | 0.72 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080032913-A1 | Masking of mineral oil odor and fragrancing of mineral oils | SYMRISE GMBH & CO. KG (DE) | 2008-02-07 | — | — | US | claimed |
| EP-1884555-A2 | Masking mineral oil smell and scenting of mineral oils | Symrise GmbH & Co. KG (DE) | 2008-02-06 | — | — | EP | claimed |