⚠ 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 SCHEMBL8559923 | 0.99 | — | — | |
| SCHEMBL8556926 | 0.86 | — | — | |
| SCHEMBL8554977 | 0.79 | PRKAB2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL8553946 | 0.78 | PRKAB2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL8555599 | 0.74 | PRKAB2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8557391 | 0.74 | PDK2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL8558038 | 0.72 | PRKAB2 (0.32) | — | |
| SCHEMBL8554543 | 0.71 | MAOA (0.33) | — | |
| Hydrochloric Acid SCHEMBL8559176 | 0.70 | MAOA (0.32) | — | |
| Hydrochloric Acid SCHEMBL8556918 | 0.69 | SIRT2 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0653426-B1 | Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same | KOWA CO (JP) | 1998-07-22 | — | — | EP | disclosed |
| US-5510366-A | INOTROPIC, ANTIARRHYMTHMIA AGENTS, VASODILATORS | KOWA CO., LTD. (JP) | 1996-04-23 | — | — | US | disclosed |
| EP-0653426-A1 | Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same | KOWA COMPANY, LTD. (JP) | 1995-05-17 | — | — | EP | disclosed |