⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8349272 | 1.00 | — | — | |
| SCHEMBL8942348 | 0.88 | KDM4E (0.31) | — | |
| SCHEMBL8346677 | 0.88 | KDM4E (0.31) | — | |
| SCHEMBL8942071 | 0.85 | KDM4E (0.33) | — | |
| SCHEMBL8942070 | 0.85 | KDM4E (0.33) | — | |
| SCHEMBL8344237 | 0.79 | ADORA3 (0.32) | — | |
| SCHEMBL8344164 | 0.78 | — | — | |
| SCHEMBL8347806 | 0.75 | PGK1 (0.32) | — | |
| SCHEMBL8942469 | 0.73 | KDM4E (0.46) | — | |
| SCHEMBL8346457 | 0.73 | PNP (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5302586-A | Antiischemic and -hypoxia agents, particularly after a stroke, cardiac arrest, hypoglycemia or perinatal asphxia | G. D. SEARLE & CO. (US) | 1994-04-12 | — | — | US | claimed |
| US-5482933-A | ANOXIA, ISCHEMIA | G. D. SEARLE & CO. (US) | 1996-01-09 | — | — | US | disclosed |
| US-5480876-A | FROM ANOXIA OR ISCHEMIA | G. D. SEARLE & CO. (US) | 1996-01-02 | — | — | US | disclosed |
| US-5302586-A | Antiischemic and -hypoxia agents, particularly after a stroke, cardiac arrest, hypoglycemia or perinatal asphxia | G. D. SEARLE & CO. (US) | 1994-04-12 | — | — | US | disclosed |