⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3104310 | 1.00 | — | — | |
| SCHEMBL17167369 | 0.86 | — | — | |
| SCHEMBL1601563 | 0.75 | — | — | |
| SCHEMBL10522453 | 0.74 | TSHR (0.34) | — | |
| SCHEMBL3034746 | 0.74 | — | — | |
| SCHEMBL14587124 | 0.74 | — | — | |
| SCHEMBL712275 | 0.70 | — | — | |
| SCHEMBL7251337 | 0.70 | — | — | |
| SCHEMBL12265818 | 0.70 | — | — | |
| SCHEMBL723116 | 0.69 | — | — |
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 |