⚠ 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-Butyl Formate SCHEMBL27979609 | 1.00 | — | — | |
| Tert-Butyl Formate SCHEMBL27979552 | 1.00 | — | — | |
| Tert-Butyl Formate SCHEMBL27979733 | 0.90 | MAPT (0.30) | — | |
| Tert-Butyl Formate SCHEMBL27979759 | 0.90 | MAPT (0.30) | — | |
| Tert-Butyl Formate SCHEMBL27979730 | 0.90 | MAPT (0.30) | — | |
| SCHEMBL570357 | 0.89 | RECQL (0.33) | — | |
| SCHEMBL15156293 | 0.89 | RECQL (0.33) | — | |
| SCHEMBL15156483 | 0.89 | RECQL (0.33) | — | |
| SCHEMBL27979765 | 0.85 | RECQL (0.31) | — | |
| SCHEMBL28813843 | 0.85 | RECQL (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104169276-A | Process for the preparation of chiral isoxazoline azetidine derivatives as antiparasitic agents | ZOETIS LLC | 2014-11-26 | — | — | CN | claimed |
| CN-104169276-A | Process for the preparation of chiral isoxazoline azetidine derivatives as antiparasitic agents | ZOETIS LLC | 2014-11-26 | — | — | CN | disclosed |