⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1371556 | 0.74 | — | — | |
| SCHEMBL19068319 | 0.70 | FAAH (0.36) | — | |
| SCHEMBL24211656 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL14385206 | 0.61 | — | — | |
| SCHEMBL11240738 | 0.58 | ATM (0.35) | — | |
| SCHEMBL12781912 | 0.56 | — | — | |
| SCHEMBL7467004 | 0.55 | — | — | |
| SCHEMBL21165789 | 0.51 | CYP19A1 (0.42) | — | |
| SCHEMBL74453 | 0.50 | — | — | |
| SCHEMBL10650171 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0257351-A2 | 3-Phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)-5-substituted-2-methyl-isoxazolidines | FISONS CORPORATION (a Massachusetts corporation) (US) | 1988-03-02 | — | — | EP | disclosed |