⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9450417 | 0.92 | — | — | |
| SCHEMBL1795836 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL6032324 | 0.86 | — | — | |
| SCHEMBL19034530 | 0.84 | — | — | |
| SCHEMBL19485977 | 0.83 | — | — | |
| SCHEMBL23612488 | 0.81 | — | — | |
| SCHEMBL14421044 | 0.81 | — | — | |
| SCHEMBL14420973 | 0.76 | — | — | |
| SCHEMBL14417055 | 0.76 | — | — | |
| SCHEMBL16191156 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2448891-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | Danisco US Inc. (US) | 2012-05-09 | — | — | EP | disclosed |
| WO-2010148256-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | DANISCO US INC. (US) | 2010-12-23 | — | — | WO | disclosed |
| US-5182282-A | Antiarrhythmia agents | ROUSSEL UCLAF (FR) | 1993-01-26 | — | — | US | disclosed |
| US-5086070-A | 4-BENZYL-1H-INDOLES AND ANTI-ARRTHYMIC USE THEREOF | ROUSSEL UCLAF (FR) | 1992-02-04 | — | — | US | disclosed |