⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7741641 | 0.80 | — | — | |
| SCHEMBL20547874 | 0.74 | — | — | |
| SCHEMBL3359483 | 0.73 | — | — | |
| SCHEMBL356198 | 0.73 | — | — | |
| SCHEMBL103008 | 0.73 | — | — | |
| Benzene SCHEMBL11127807 | 0.72 | CETP (0.33) | — | |
| SCHEMBL892060 | 0.70 | — | — | |
| SCHEMBL29072871 | 0.70 | — | — | |
| SCHEMBL29171472 | 0.70 | — | — | |
| SCHEMBL2118976 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9751821-B1 | Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2017-09-05 | — | — | US | disclosed |
| US-20170233321-A1 | METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2017-08-17 | — | — | US | disclosed |
| US-9676692-B2 | Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2017-06-13 | — | — | US | disclosed |
| US-20150119576-A1 | METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND | NISSAN CHEMICAL CORPORATION (JP) | 2015-04-30 | — | — | US | disclosed |
| US-8952175-B2 | Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2015-02-10 | — | — | US | disclosed |
| US-20100137612-A1 | METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND FOR PRODUCTION OF 2- PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZLINE COMPOUND | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2010-06-03 | — | — | US | disclosed |
| EP-2172462-A1 | METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND, AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND | Nissan Chemical Industries, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |