⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21610399 | 0.72 | — | — | |
| SCHEMBL18867154 | 0.67 | — | — | |
| SCHEMBL24054565 | 0.64 | — | — | |
| SCHEMBL14648368 | 0.61 | MIF (0.31) | — | |
| SCHEMBL10037199 | 0.59 | — | — | |
| SCHEMBL18634492 | 0.59 | — | — | |
| SCHEMBL13313042 | 0.58 | — | — | |
| SCHEMBL21323164 | 0.56 | — | — | |
| SCHEMBL12240416 | 0.54 | — | — | |
| SCHEMBL8960369 | 0.54 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150297596-A1 | ISOXAZOLINES AS THERAPEUTIC AGENTS | ABBVIE INC. (US) | 2015-10-22 | — | — | US | disclosed |
| US-9029409-B2 | Isoxazolines as therapeutic agents | ABBVIE INC. (US) | 2015-05-12 | — | — | US | disclosed |
| US-20130023526-A1 | Isoxazolines as Therapeutic Agents | ABBOTT LABORATORIES (US) | 2013-01-24 | — | — | US | disclosed |