⚠ 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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL28442194 | 0.95 | — | — | |
| Dimethylamine SCHEMBL21838384 | 0.89 | — | — | |
| Tert-Butanol SCHEMBL3628777 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL788666 | 0.82 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL20503401 | 0.82 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL282 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL25297067 | 0.76 | ALDH1A1 (0.42) | — | |
| Tert-Butanol SCHEMBL10864527 | 0.76 | ALDH1A1 (0.42) | — | |
| Tert-Butanol SCHEMBL16552604 | 0.76 | — | — | |
| Tert-Butanol SCHEMBL22800861 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002014398-A1 | COMPOSITION FOR COATING WOOD AND PROCESS AND APPARATUS FOR THE SAME | SIGMA COATINGS B.V. (NL) | 2002-02-21 | — | — | WO | disclosed |
| EP-1180531-A1 | Composition for coating wood and process and apparatus for the same | SIGMA COATINGS B.V. (NL) | 2002-02-20 | — | — | EP | disclosed |
| CN-1036005-C | Pharmaceutical composition containing 7-bicyclic substituted-3-quinolone carboxylic acid derivative and process for preparing same | BAYER AG (DE) | 1997-10-01 | — | — | CN | disclosed |
| CN-1143080-A | Method for preparing 7-bicyclic substituted -3-quinone derivative | BAYER AG (DE) | 1997-02-19 | — | — | CN | disclosed |
| CN-1027165-C | Process for preparing 7-ring substituted-3-quinolone carboxylic acid derivatives | BAYER AG (DE) | 1994-12-28 | — | — | CN | disclosed |
| CN-1039589-A | 7- (1-pyrrolidinyl) -3-quinolone-and 1, 5-naphthyridonecarboxylic acid derivatives and process for preparing same | BAYER AG (DE) | 1990-02-14 | — | — | CN | disclosed |