⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1081300 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL1058413 | 0.71 | SLC6A2 (0.31) | — | |
| SCHEMBL9189204 | 0.71 | MAPT (0.36) | — | |
| SCHEMBL21065649 | 0.71 | — | — | |
| SCHEMBL10680456 | 0.70 | SLC6A2 (0.33) | — | |
| SCHEMBL940127 | 0.70 | SLC6A4 (0.35) | — | |
| SCHEMBL3246813 | 0.70 | SLC6A4 (0.33) | — | |
| SCHEMBL11460903 | 0.68 | MAPT (0.30) | — | |
| SCHEMBL22667748 | 0.65 | — | — | |
| SCHEMBL18928408 | 0.65 | — | — |
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-2274409-A1 | USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE | Symrise AG (DE) | 2011-01-19 | — | — | EP | disclosed |
| WO-2009124888-A1 | USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE | SYMRISE GMBH & CO. KG (DE) | 2009-10-15 | — | — | WO | disclosed |