⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9751207 | 0.71 | SORT1 (0.43) | — | |
| SCHEMBL12460457 | 0.70 | — | — | |
| SCHEMBL12460366 | 0.68 | ITGB3 (0.30) | — | |
| SCHEMBL20645845 | 0.67 | MIF (0.48) | — | |
| SCHEMBL9328659 | 0.59 | POLB (0.57) | — | |
| SCHEMBL24618327 | 0.57 | — | — | |
| SCHEMBL20285419 | 0.57 | — | — | |
| SCHEMBL12727009 | 0.55 | — | — | |
| SCHEMBL9512543 | 0.53 | — | — | |
| Butane SCHEMBL28310168 | 0.53 | S1PR4 (0.47) | — |
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-0313997-A2 | Medicine, therein contained phosphor containing 2-isoxazolidines and isoxazoles, as well as process for preparing those heterocyclic compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-05-03 | — | — | EP | disclosed |