⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31050278 | 0.79 | — | — | |
| SCHEMBL29683755 | 0.79 | GABRA1 (0.33) | — | |
| SCHEMBL28291512 | 0.79 | GABRA1 (0.33) | — | |
| SCHEMBL11137568 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL29603808 | 0.74 | — | — | |
| SCHEMBL701678 | 0.74 | — | — | |
| SCHEMBL31394482 | 0.74 | PDCD1 (0.34) | — | |
| SCHEMBL18070215 | 0.72 | CYP1A2 (0.35) | — | |
| SCHEMBL12945242 | 0.72 | CYP3A4 (0.32) | — | |
| SCHEMBL700311 | 0.71 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8124810-B2 | Preparation of isoxazolin-3-ylacylbenzenes | BASF SE (DE) | 2012-02-28 | — | — | US | disclosed |
| US-8124810-B2 | Preparation of isoxazolin-3-ylacylbenzenes | BASF SE (DE) | 2012-02-28 | — | — | US | disclosed |
| US-8049017-B2 | Preparation of isoxazolin-3-ylacylbenzenes | BASF SE (DE) | 2011-11-01 | — | — | US | disclosed |
| US-8049017-B2 | Preparation of isoxazolin-3-ylacylbenzenes | BASF SE (DE) | 2011-11-01 | — | — | US | disclosed |
| US-20110152535-A1 | PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES | RHEINHEIMER JOACHIM | 2011-06-23 | — | — | US | disclosed |
| US-20110152535-A1 | PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES | RHEINHEIMER JOACHIM | 2011-06-23 | — | — | US | disclosed |
| EP-2325176-A1 | Process for the preparation of isoxazolin-3-yl-acylbenzenes | BASF SE (DE) | 2011-05-25 | — | — | EP | disclosed |
| EP-2298749-A1 | Process for the preparation of Thioethers | BASF SE (DE) | 2011-03-23 | — | — | EP | disclosed |
| US-20100105920-A1 | PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES | BASF SE (DE) | 2010-04-29 | — | — | US | disclosed |
| US-20100105920-A1 | PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES | BASF SE (DE) | 2010-04-29 | — | — | US | disclosed |
| US-7663001-B2 | Preparation of isoxazolin-3-ylacylbenzene | BASF AKTIENGESELLSCHAFT (DE) | 2010-02-16 | — | — | US | disclosed |
| US-7663001-B2 | Preparation of isoxazolin-3-ylacylbenzene | BASF AKTIENGESELLSCHAFT (DE) | 2010-02-16 | — | — | US | disclosed |
| US-7309802-B2 | Preparation of isoxazolin-3-ylacylbenzene | BASF AKTIENGESELLSCHAFT (DE) | 2007-12-18 | — | — | US | disclosed |
| US-7309802-B2 | Preparation of isoxazolin-3-ylacylbenzene | BASF AKTIENGESELLSCHAFT (DE) | 2007-12-18 | — | — | US | disclosed |
| EP-1852424-A2 | Method for manufacturing isoxazoline-3-yL-acyl benzoles | BASF AKTIENGESELLSCHAFT (DE) | 2007-11-07 | — | — | EP | disclosed |
| US-20070161800-A1 | Preparation of Isoxazolin-3-Ylacylbenzene | BASF SE (DE) | 2007-07-12 | — | — | US | disclosed |
| US-20070161800-A1 | Preparation of Isoxazolin-3-Ylacylbenzene | BASF SE (DE) | 2007-07-12 | — | — | US | disclosed |