⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL834242 | 0.96 | — | — | |
| SCHEMBL161162 | 0.96 | — | — | |
| SCHEMBL4606870 | 0.96 | — | — | |
| SCHEMBL2830982 | 0.78 | TRPA1 (0.33) | — | |
| SCHEMBL18383122 | 0.78 | — | — | |
| SCHEMBL730599 | 0.78 | TRPA1 (0.33) | — | |
| SCHEMBL5420270 | 0.78 | — | — | |
| SCHEMBL2833673 | 0.78 | TRPA1 (0.33) | — | |
| SCHEMBL2833674 | 0.78 | TRPA1 (0.33) | — | |
| SCHEMBL2833644 | 0.78 | TRPA1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013117869-A2 | METHOD FOR ENZYMATICALLY SYNTHESIZING (7S)-3,4-DIMETHOXY BICYCLE[4.20] OCTA-1,3,5-TRIENE-7-CARBOXYLIC ACID OR THE ESTERS THEREOF, AND USE IN THE SYNTHESIS OF IVABRADINE AND THE SALTS THEREOF | LES LABORATOIRES SERVIER (FR) | 2013-08-15 | — | — | WO | disclosed |
| WO-2010007253-A2 | NOVEL METHOD FOR PREPARING FUNCTIONALIZED BENZOCYCLOBUTENES, AND USE IN THE SYNTHESIS OF IVABRADINE AND OF ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID | LES LABORATOIRES SERVIER (FR) | 2010-01-21 | — | — | WO | disclosed |