⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13141618 | 1.00 | — | — | |
| SCHEMBL13513540 | 1.00 | — | — | |
| SCHEMBL13370786 | 0.89 | — | — | |
| SCHEMBL12778663 | 0.78 | — | — | |
| SCHEMBL16595152 | 0.74 | — | — | |
| SCHEMBL19886275 | 0.73 | — | — | |
| SCHEMBL446126 | 0.73 | — | — | |
| SCHEMBL3804596 | 0.72 | EPHX1 (0.48) | — | |
| SCHEMBL8927773 | 0.72 | EPHX1 (0.48) | — | |
| SCHEMBL11077257 | 0.72 | — | — |
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-2376079-B1 | METHODS OF USING SUBSTITUTED ISOXAZOLO PYRIDINONES AS DISSOCIATED GLUCOCORTICOIDS | VAN ANDEL RES INST (US) | 2016-08-10 | — | — | EP | disclosed |