⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5489826 | 0.74 | TAAR1 (0.40) | — | |
| SCHEMBL4608595 | 0.73 | — | — | |
| SCHEMBL9651007 | 0.70 | — | — | |
| SCHEMBL14062535 | 0.70 | — | — | |
| SCHEMBL10494970 | 0.69 | TAAR1 (0.36) | — | |
| SCHEMBL95257 | 0.69 | — | — | |
| SCHEMBL3251507 | 0.69 | — | — | |
| SCHEMBL5621877 | 0.68 | — | — | |
| SCHEMBL3532943 | 0.67 | NISCH (0.65) | — | |
| SCHEMBL15318610 | 0.67 | NOS3 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0371467-A2 | Beta-amino boron acid derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-06-06 | — | — | EP | claimed |
| WO-2006129120-A9 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-03-22 | — | — | WO | disclosed |
| WO-2006129120-A2 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2006-12-07 | — | — | WO | disclosed |
| 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 |
| EP-0371467-A2 | Beta-amino boron acid derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-06-06 | — | — | EP | disclosed |