⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2974682 | 0.77 | NPC1 (0.32) | — | |
| SCHEMBL15352548 | 0.74 | — | — | |
| SCHEMBL1495929 | 0.74 | — | — | |
| SCHEMBL2965813 | 0.74 | PTGS2 (0.39) | — | |
| SCHEMBL1206425 | 0.73 | — | — | |
| SCHEMBL2976128 | 0.73 | — | — | |
| SCHEMBL2975142 | 0.73 | — | — | |
| SCHEMBL2963926 | 0.73 | — | — | |
| SCHEMBL5790354 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL2966821 | 0.71 | PTGS2 (0.43) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2900645-B1 | HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2019-08-21 | — | — | EP | disclosed |
| US-9585392-B2 | 3-phenylisoxazolin derivatives with herbicidal action | BAYER CROPSCIENCE AG (DE) | 2017-03-07 | — | — | US | disclosed |
| US-9163046-B2 | Process for producing substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2015-10-20 | — | — | US | disclosed |
| US-20150245615-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | BAYER CROPSCIENCE AG (DE) | 2015-09-03 | — | — | US | disclosed |
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |
| US-7763562-B2 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2010-07-27 | — | — | US | disclosed |
| US-20100113717-A1 | Process For Producing Substituted Metallocene Compounds For Olefin Polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2010-05-06 | — | — | US | disclosed |
| US-7709670-B2 | Process for producing substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2010-05-04 | — | — | US | disclosed |
| EP-1866322-B1 | PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEM PATENTS INC (US) | 2010-02-24 | — | — | EP | disclosed |
| EP-1866322-A2 | PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents Inc. (US) | 2007-12-19 | — | — | EP | disclosed |
| US-20070135597-A1 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |
| US-20060160968-A1 | Process for producing substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2006-07-20 | — | — | US | disclosed |
| WO-2006065844-A2 | PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006065809-A2 | HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-22 | — | — | WO | disclosed |
| CN-1166658-C | 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors | ��ʽ����̫ƽ�� | 2004-09-15 | — | — | CN | disclosed |
| EP-1358169-A2 | DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002057261-A2 | DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-25 | — | — | WO | disclosed |
| CN-1348447-A | 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors | PACIFIC CORP (KR) | 2002-05-08 | — | — | CN | disclosed |
| US-4176184-A | CARDIOTONICS, HYPOTENSIVES, ANTITHROMBOTICS AND ANTIARRHYTHMICS | BOEHRINGER INGELHEIM GMBH (DE) | 1979-11-27 | — | — | US | disclosed |