⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4469418 | 0.70 | CNR1 (0.40) | — | |
| SCHEMBL16887995 | 0.69 | MLLT1 (0.47) | — | |
| SCHEMBL893079 | 0.62 | — | — | |
| SCHEMBL6511339 | 0.62 | KDM4E (0.52) | — | |
| SCHEMBL159531 | 0.59 | — | — | |
| SCHEMBL109365 | 0.59 | — | — | |
| SCHEMBL2806245 | 0.59 | HCAR2 (0.61) | — | |
| SCHEMBL16062855 | 0.59 | — | — | |
| SCHEMBL264201 | 0.59 | — | — | |
| SCHEMBL24027161 | 0.57 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2691379-B1 | HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 3-PHENYLISOXAZOLINE-5-THIOAMIDES | BAYER IP GMBH (DE) | 2016-11-02 | — | — | EP | disclosed |
| US-9078442-B2 | Herbicidally and fungicidally active 3-phenylisoxazoline-5-carboxamides and 3-phenylisoxazoline-5-thioamides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-07-14 | — | — | US | disclosed |
| EP-2691379-A1 | HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 3-PHENYLISOXAZOLINE-5-THIOAMIDES | Bayer Intellectual Property GmbH (DE) | 2014-02-05 | — | — | EP | disclosed |
| WO-2012130798-A1 | HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-PHNEYLISOXAZOLINE-5-CARBOXAMIDES AND 3-PHNEYLISOXAZOLINE-5-THIOAMIDES | BAYER CROPSCIENCE AG (DE) | 2012-10-04 | — | — | WO | disclosed |
| WO-2009027733-A1 | (2-PYRIDIN-3-YLIMIDAZO[1,2-B]PYRIDAZIN-6-YL) UREA DERIVATIVES AS ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2009-03-05 | — | — | WO | disclosed |
| US-6410533-B1 | THERAPY FOR BACTERIA INFECTIONS | GENZYME CORPORATION | 2002-06-25 | — | — | US | disclosed |