⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26216377 | 1.00 | — | — | |
| SCHEMBL15947371 | 1.00 | — | — | |
| SCHEMBL30117374 | 0.81 | TAS1R3 (0.39) | — | |
| SCHEMBL18322819 | 0.78 | PSMB11 (0.44) | — | |
| SCHEMBL18322820 | 0.78 | PSMB11 (0.44) | — | |
| SCHEMBL24085378 | 0.77 | — | — | |
| SCHEMBL239571 | 0.77 | — | — | |
| SCHEMBL2356012 | 0.77 | — | — | |
| SCHEMBL20877837 | 0.77 | — | — | |
| SCHEMBL5411842 | 0.77 | ALDH1A1 (0.37) | — |
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 5 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 |
| EP-2389350-A1 | METHODS FOR MAKING VALERENIC ACID DERIVATIVES AND THEIR USE | Valericon GmbH (AT) | 2011-11-30 | — | — | EP | disclosed |
| WO-2010084182-A1 | METHODS FOR MAKING VALERENIC ACID DERIVATIVES AND THEIR USE | Universität Wien (AT) | 2010-07-29 | — | — | WO | disclosed |