⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12203390 | 0.76 | MLYCD (0.33) | — | |
| SCHEMBL12203115 | 0.70 | — | — | |
| SCHEMBL24497383 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL6123534 | 0.68 | TSHR (0.30) | — | |
| SCHEMBL14640369 | 0.65 | — | — | |
| SCHEMBL13679406 | 0.57 | — | — | |
| SCHEMBL17028996 | 0.55 | — | — | |
| SCHEMBL3685820 | 0.54 | — | — | |
| SCHEMBL8352516 | 0.52 | — | — | |
| SCHEMBL9971344 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-5339250-A | — | — | None | — | — | JP | disclosed |
| JP-H05339250-A | ISOXAZOLINE DERIVATIVE AND ANTIVIRAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT | SHIONOGI & CO LTD | 1993-12-21 | — | — | JP | disclosed |