⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6793918 | 1.00 | — | — | |
| SCHEMBL6796462 | 1.00 | — | — | |
| SCHEMBL6793920 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL6794425 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL6794428 | 0.99 | — | — | |
| SCHEMBL6796226 | 0.95 | — | — | |
| SCHEMBL6796231 | 0.95 | — | — | |
| SCHEMBL6798372 | 0.91 | SLC9A1 (0.45) | — | |
| SCHEMBL6795541 | 0.91 | SLC9A1 (0.45) | — | |
| SCHEMBL6798369 | 0.91 | SLC9A1 (0.45) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6706732-B1 | PROPHYLACTIC AND THERAPEUTIC EFFECT ON MYOCARDIAL INFARCTION AND ACCOMPANYING DYSFUNCTIONS, ARRHYTHMIA, UNSTABLE ANGINA, CARDIAC HYPERTROPHY, ETC.; SODIUM-PROTON EXCHANGE INHIBITION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2004-03-16 | — | — | US | claimed |
| EP-1182194-A1 | PERNASAL PREPARATIONS | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | claimed |
| US-6706732-B1 | PROPHYLACTIC AND THERAPEUTIC EFFECT ON MYOCARDIAL INFARCTION AND ACCOMPANYING DYSFUNCTIONS, ARRHYTHMIA, UNSTABLE ANGINA, CARDIAC HYPERTROPHY, ETC.; SODIUM-PROTON EXCHANGE INHIBITION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2004-03-16 | — | — | US | disclosed |
| EP-1182194-A1 | PERNASAL PREPARATIONS | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |