⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1697061 | 0.92 | ACE2 (0.48) | — | |
| SCHEMBL56652 | 0.85 | LMNA (0.50) | — | |
| SCHEMBL10002862 | 0.82 | — | — | |
| SCHEMBL3836543 | 0.82 | — | — | |
| SCHEMBL27558484 | 0.82 | ACE2 (0.52) | — | |
| SCHEMBL31521551 | 0.82 | LMNA (0.56) | — | |
| Ammonia Solution, Strong SCHEMBL524060 | 0.82 | LMNA (0.47) | — | |
| SCHEMBL10650934 | 0.81 | ACE2 (0.48) | — | |
| SCHEMBL3093511 | 0.80 | — | — | |
| SCHEMBL554385 | 0.79 | ACE2 (0.56) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501361-B1 | 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES | BASF SE (DE) | 2009-09-30 | — | — | EP | disclosed |
| US-7381687-B2 | 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2008-06-03 | — | — | US | disclosed |
| US-20060088786-A1 | Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus | MITSUI CHEMICALS, INC. (JP) | 2006-04-27 | — | — | US | disclosed |
| US-20050165020-A1 | 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2005-07-28 | — | — | US | disclosed |
| EP-1501361-A1 | 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2005-02-02 | — | — | EP | disclosed |
| EP-1484191-A1 | REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE | Sony Corporation (JP) | 2004-12-08 | — | — | EP | disclosed |
| WO-2003090539-A1 | 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2003-11-06 | — | — | WO | disclosed |