⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13914407 | 0.80 | — | — | |
| SCHEMBL10859287 | 0.77 | — | — | |
| SCHEMBL9156390 | 0.73 | GLA (0.39) | — | |
| SCHEMBL11279370 | 0.73 | — | — | |
| SCHEMBL11464506 | 0.73 | — | — | |
| SCHEMBL4628881 | 0.70 | CACNA1H (0.36) | — | |
| SCHEMBL7626256 | 0.70 | ALDH1A1 (0.46) | — | |
| SCHEMBL4757036 | 0.66 | PRKAG1 (0.37) | — | |
| SCHEMBL3831408 | 0.65 | — | — | |
| SCHEMBL2813510 | 0.64 | — | — |
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-5374642-A | Insecticides | BASF AKTIENGESELLSCHAFT (DE) | 1994-12-20 | — | — | US | disclosed |
| EP-0457023-B1 | Hydroquinone di-ethers, their preparation and their use | BASF AG (DE) | 1994-07-13 | — | — | EP | disclosed |
| EP-0457023-A1 | Hydroquinone di-ethers, their preparation and their use | BASF Aktiengesellschaft (DE) | 1991-11-21 | — | — | EP | disclosed |