⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8129348 | 0.75 | — | — | |
| SCHEMBL10769032 | 0.75 | — | — | |
| SCHEMBL10765717 | 0.68 | MAOA (0.41) | — | |
| SCHEMBL16253865 | 0.67 | GAA (0.42) | — | |
| SCHEMBL6744037 | 0.66 | GAA (1.00) | — | |
| SCHEMBL9818686 | 0.66 | GAA (0.41) | — | |
| SCHEMBL17742100 | 0.65 | GAA (0.61) | — | |
| Guanazole SCHEMBL15697 | 0.64 | — | — | |
| SCHEMBL3463283 | 0.64 | GAA (0.37) | — | |
| SCHEMBL10765724 | 0.63 | KCNH3 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6114390-A | AN ARGININAMIDE OR ORNITHINAMIDE COMPOUND AS TREATING MEMORY LOSS, MIGRAINE, SLEEP DISORDERS, PAIN, CARDIOVASCULAR DISEASES, SUBARACHNOIDAL BLEEDING, VASCULAR-HYPERTROPHIC CHANGES, CEREBRAL AND CORONARY VASOSPASMS | KARL THOMAE GMBH (DE) | 2000-09-05 | — | — | US | disclosed |