⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6506748 | 1.00 | — | — | |
| SCHEMBL241574 | 0.97 | — | — | |
| SCHEMBL666826 | 0.97 | — | — | |
| SCHEMBL4192984 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL10890706 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL6501897 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL6501898 | 0.94 | — | — | |
| SCHEMBL7753804 | 0.92 | PPARG (0.58) | — | |
| SCHEMBL2572558 | 0.92 | PPARG (0.58) | — | |
| SCHEMBL2572556 | 0.92 | PPARG (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106715409-A | Complex preparation for preventing or treating metabolic diseases comprising novel 3- (4- (benzyloxy) phenyl) -4-hexenoic acid derivative and other active ingredients | 现代药品株式会社 | 2017-05-24 | — | — | CN | disclosed |
| WO-2005042507-A1 | BIS {6-(1,3-DIHYDRO-4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-5-ISOBENZOFURANYL)-4-METHYL-, (4E)-4-HEXENOIC ACID} ZINC SALT | BIOCON LIMITED (IN) | 2005-05-12 | — | — | WO | disclosed |
| WO-2005014567-A1 | MYCOPHENOLIC ACID BISMUTH SALT | BIOCON LIMITED (IN) | 2005-02-17 | — | — | WO | disclosed |