⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3247701 | 1.00 | — | — | |
| SCHEMBL31461019 | 0.83 | GRIK1 (0.38) | — | |
| SCHEMBL28396306 | 0.83 | GRIK1 (0.48) | — | |
| SCHEMBL11098358 | 0.80 | GRIK1 (0.50) | — | |
| SCHEMBL8734111 | 0.78 | — | — | |
| SCHEMBL7101539 | 0.78 | — | — | |
| SCHEMBL28396333 | 0.78 | GRIK1 (0.44) | — | |
| SCHEMBL28734197 | 0.77 | KDM4E (0.52) | — | |
| SCHEMBL1645922 | 0.76 | — | — | |
| SCHEMBL5436286 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1490501-B1 | ENZYMATIC RESOLUTION OF PROPYLENE GLYCOL ALKYL (OR ARYL) ETHERS AND ETHER ACETATES | REDDY S LAB EU LTD DR (GB) | 2010-05-26 | — | — | EP | disclosed |
| EP-0103265-A2 | Biphenylylpropionic acid derivative, process for preparing the same and pharmaceutical composition containing the same | Kaken Pharmaceutical Co., Ltd. (JP) | 1984-03-21 | — | — | EP | disclosed |