⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23637864 | 0.69 | — | — | |
| SCHEMBL27111882 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL28313892 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27874947 | 0.67 | — | — | |
| SCHEMBL11806098 | 0.65 | — | — | |
| SCHEMBL30659520 | 0.65 | — | — | |
| SCHEMBL3030496 | 0.65 | — | — | |
| SCHEMBL28395683 | 0.64 | — | — | |
| Isopropylamine SCHEMBL1680296 | 0.62 | — | — | |
| SCHEMBL21557029 | 0.59 | — | — |
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-6399824-B1 | FOR THERAPY AND PROPHYLAXIS OF ARRHYTHMIAS, CARDIAC INFRACTION, ISCHEMIC CONDITIONS, ANGINA PECTORIS, SHOCK, FOR PRESERVING AND STORING A TRANSPLANT FOR SURGICAL MEASURE | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-06-04 | — | — | US | disclosed |
| US-20020058710-A1 | SUBSTITUTED CINNAMIC, ACID GUANIDIDES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A MEDICAMENT, AND MEDICAMENT COMPRISING THEM | AVENTIS PHARMA DEUTSCHLAND GMBH. | 2002-05-16 | — | — | US | disclosed |