⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15229041 | 0.77 | — | — | |
| SCHEMBL15229086 | 0.61 | — | — | |
| SCHEMBL14917153 | 0.59 | — | — | |
| SCHEMBL794331 | 0.56 | — | — | |
| SCHEMBL4278367 | 0.55 | — | — | |
| SCHEMBL10512741 | 0.55 | — | — | |
| SCHEMBL317612 | 0.50 | — | — | |
| SCHEMBL21698328 | 0.43 | — | — | |
| Alcohol SCHEMBL28161398 | 0.42 | — | — | |
| Propanol SCHEMBL11523777 | 0.41 | ALDH1A1 (0.47) | — |
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-1129082-A1 | METHOD AND NOVEL INTERMEDIATE PRODUCTS FOR PRODUCING ISOXAZOLIN-3-YL-ACYLBENZENES | BASF AKTIENGESELLSCHAFT (DE) | 2001-09-05 | — | — | EP | disclosed |
| EP-1077955-A1 | METHOD FOR PRODUCING ISOXAZOLINE-3-YL-ACYL BENZENE | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-28 | — | — | EP | disclosed |
| WO-2000029394-A1 | METHOD AND NOVEL INTERMEDIATE PRODUCTS FOR PRODUCING ISOXAZOLIN-3-YL-ACYLBENZENES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-25 | — | — | WO | disclosed |
| WO-1999058509-A1 | METHOD FOR PRODUCING ISOXAZOLINE-3-YL-ACYL BENZENE | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-18 | — | — | WO | disclosed |