⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4897858 | 0.76 | — | — | |
| SCHEMBL5157636 | 0.74 | — | — | |
| SCHEMBL1455244 | 0.74 | — | — | |
| SCHEMBL9574371 | 0.74 | — | — | |
| SCHEMBL14113732 | 0.73 | TSHR (0.69) | — | |
| SCHEMBL168774 | 0.73 | TSHR (0.69) | — | |
| SCHEMBL402866 | 0.72 | — | — | |
| SCHEMBL402865 | 0.72 | — | — | |
| SCHEMBL3418504 | 0.72 | — | — | |
| SCHEMBL15786357 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150045574-A1 | METHODS FOR MAKING VALERENIC ACID DERIVATIVES AND THEIR USE | VALERICON GMBH (AT) | 2015-02-12 | — | — | US | disclosed |
| US-8809395-B2 | Methods for making valerenic acid derivatives and their use | VALERICON GMBH (AT) | 2014-08-19 | — | — | US | disclosed |
| US-20120022283-A1 | METHODS FOR MAKING VALERENIC ACID DERIVATIVES AND THEIR USE | VALERICON GMBH (AT) | 2012-01-26 | — | — | US | disclosed |