⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7682876 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL7682878 | 0.77 | — | — | |
| SCHEMBL7678938 | 0.74 | — | — | |
| SCHEMBL7690059 | 0.69 | HSP90AA1 (0.30) | — | |
| SCHEMBL7689388 | 0.68 | TP53 (0.34) | — | |
| SCHEMBL7683629 | 0.66 | DAO (0.35) | — | |
| SCHEMBL7681176 | 0.65 | TP53 (0.49) | — | |
| SCHEMBL7687664 | 0.63 | — | — | |
| SCHEMBL7680981 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL7685857 | 0.61 | TP53 (0.46) | — |
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 |