⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8316116 | 0.78 | CYP1A2 (0.31) | — | |
| SCHEMBL18780621 | 0.74 | — | — | |
| SCHEMBL27447235 | 0.74 | CYP1A2 (0.32) | — | |
| SCHEMBL19276649 | 0.74 | — | — | |
| SCHEMBL23083514 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL23334387 | 0.74 | — | — | |
| SCHEMBL28984066 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL27813170 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28972239 | 0.72 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL23070819 | 0.72 | KDM4E (0.30) | — |
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-0832076-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-04-01 | — | — | EP | disclosed |