⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12818688 | 1.00 | — | — | |
| SCHEMBL6971057 | 0.73 | — | — | |
| SCHEMBL6971059 | 0.73 | — | — | |
| SCHEMBL12819364 | 0.71 | — | — | |
| SCHEMBL12819363 | 0.71 | — | — | |
| SCHEMBL9454285 | 0.70 | — | — | |
| SCHEMBL5575061 | 0.69 | THRB (0.41) | — | |
| SCHEMBL920388 | 0.69 | — | — | |
| SCHEMBL129259 | 0.68 | LMNA (0.48) | — | |
| SCHEMBL10454581 | 0.68 | PAX8 (0.30) | — |
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 |
| US-20140100108-A1 | HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 3-PHENYLISOXAZOLINE-5-THIOAMIDES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-04-10 | — | — | 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 |
| US-20100222257-A1 | SUBSTITUTED PHENETHYLAMINES | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-09-02 | — | — | US | disclosed |