⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11898399 | 1.00 | — | — | |
| SCHEMBL27360648 | 0.86 | HCAR2 (0.53) | — | |
| SCHEMBL1062043 | 0.86 | HCAR2 (0.53) | — | |
| SCHEMBL23557517 | 0.79 | NFE2L2 (0.68) | — | |
| SCHEMBL23544811 | 0.79 | NFE2L2 (0.68) | — | |
| SCHEMBL27862395 | 0.75 | — | — | |
| SCHEMBL28997788 | 0.75 | HCAR2 (0.42) | — | |
| SCHEMBL16467056 | 0.75 | HCAR2 (0.36) | — | |
| SCHEMBL182365 | 0.75 | — | — | |
| SCHEMBL37099 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108570041-A | A kind of preparation method of the compound of uracil containing isoxazoline | 沈阳中化农药化工研发有限公司 | 2018-09-25 | — | — | CN | disclosed |
| WO-2018103058-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE | JANSSEN PHARMACEUTICA NV (BE) | 2018-06-14 | — | — | WO | disclosed |
| EP-2699606-A2 | POLYMERS FUNCTIONALIZED WITH A CARBOXYLIC OR THIOCARBOXYLIC ESTER CONTAINING A SILYLATED AMINO GROUP | Bridgestone Corporation (JP) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012135451-A2 | POLYMERS FUNCTIONALIZED WITH A CARBOXYLIC OR THIOCARBOXYLIC ESTER CONTAINING A SILYLATED AMINO GROUP | BRIDGESTONE CORPORATION (JP) | 2012-10-04 | — | — | WO | disclosed |
| EP-2483317-A1 | FUNCTIONALIZED POLYMERS AND METHODS FOR THEIR MANUFACTURE | Bridgestone Corporation (JP) | 2012-08-08 | — | — | EP | disclosed |