⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7686940 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL7681375 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL7681372 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL7680956 | 0.79 | POLB (0.36) | — | |
| Hydrochloric Acid SCHEMBL7680944 | 0.79 | POLB (0.36) | — | |
| Hydrochloric Acid SCHEMBL7689722 | 0.77 | SMN1; SMN2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7689721 | 0.77 | SMN1; SMN2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7687303 | 0.75 | NPC1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7687302 | 0.75 | NPC1 (0.32) | — | |
| SCHEMBL7682778 | 0.75 | HCAR2 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6350749-B1 | SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-02-26 | — | — | US | disclosed |
| EP-1057812-A1 | AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-12-06 | — | — | EP | disclosed |