⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9806441 | 0.98 | — | — | |
| SCHEMBL814258 | 0.95 | — | — | |
| SCHEMBL815194 | 0.95 | — | — | |
| SCHEMBL11355069 | 0.91 | FAAH (0.36) | — | |
| SCHEMBL8085351 | 0.89 | — | — | |
| SCHEMBL1627426 | 0.89 | — | — | |
| SCHEMBL861285 | 0.89 | — | — | |
| SCHEMBL1147856 | 0.89 | — | — | |
| SCHEMBL289603 | 0.89 | — | — | |
| SCHEMBL3263623 | 0.89 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1565423-B1 | 2-HEPTYLCYCLOPROPYL-1-CARBOXYLIC ACID | SYMRISE GMBH & CO KG (DE) | 2006-06-07 | — | — | EP | disclosed |
| EP-1565423-A1 | 2-HEPTYLCYCLOPROPYL-1-CARBOXYLIC ACID | Symrise GmbH & Co. KG (DE) | 2005-08-24 | — | — | EP | disclosed |
| WO-2004046079-A1 | 2-HEPTYLCYCLOPROPYL-1-CARBOXYLIC ACID | SYMRISE GMBH & CO. KG (DE) | 2004-06-03 | — | — | WO | disclosed |