⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9543151 | 0.86 | TSHR (0.39) | — | |
| SCHEMBL1269971 | 0.82 | — | — | |
| SCHEMBL31463659 | 0.81 | THRB (0.36) | — | |
| SCHEMBL29001937 | 0.80 | ALDH1A1 (0.46) | — | |
| SCHEMBL9540458 | 0.80 | — | — | |
| Methacrylic Acid SCHEMBL9959129 | 0.79 | LMNA (0.37) | — | |
| SCHEMBL4453065 | 0.79 | — | — | |
| SCHEMBL8409347 | 0.78 | EPHX1 (0.44) | — | |
| SCHEMBL3009732 | 0.78 | EPHX1 (0.44) | — | |
| SCHEMBL13370394 | 0.78 | EPHX1 (0.49) | — |
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-2997613-A1 | REDOX FLOW CELL FOR STORING ELECTRICAL ENERGY AND USE THEREOF | Jenabatteries GmbH (DE) | 2016-03-23 | — | — | EP | disclosed |
| WO-1993011669-A1 | USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS | BASF AKTIENGESELLSCHAFT (DE) | 1993-06-24 | — | — | WO | disclosed |