⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7964304 | 0.84 | — | — | |
| SCHEMBL13771050 | 0.79 | — | — | |
| SCHEMBL1003837 | 0.79 | — | — | |
| SCHEMBL3315438 | 0.77 | — | — | |
| SCHEMBL1160921 | 0.77 | — | — | |
| SCHEMBL6374192 | 0.77 | — | — | |
| SCHEMBL6176128 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL14158893 | 0.76 | — | — | |
| SCHEMBL7967278 | 0.76 | — | — | |
| SCHEMBL5793481 | 0.75 | ALDH1A1 (0.38) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3268353-B1 | PYRAZOLYL DERIVATIVES AS PEST CONTROL AGENTS | BAYER ANIMAL HEALTH GMBH (DE) | 2020-09-09 | — | — | EP | disclosed |
| US-20160033824-A1 | ALIGNMENT COMPOSITION, LIQUID CRYSTAL DISPLAY PANEL AND METHOD OF MANUFACTURING SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-02-04 | — | — | US | disclosed |
| EP-2054427-B1 | AVERMECTIN DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2010-07-14 | — | — | EP | disclosed |
| US-20100076005-A1 | ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES | UNIBIOSCREEN SA (BE) | 2010-03-25 | — | — | US | disclosed |
| EP-2089395-A2 | NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES | UnibioScreen S.A. (BE) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008043846-A2 | NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES | UNIBIOSCREEN SA (BE) | 2008-04-17 | — | — | WO | disclosed |
| EP-1896480-A1 | CRIPOWELLINS AND SYNTHETIC DERIVATIVES THEREOF USED AS MEDICAMENTS | Bayer CropScience Aktiengesellschaft (DE) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006136309-A1 | CRIPOWELLINS AND SYNTHETIC DERIVATIVES THEREOF USED AS MEDICAMENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2006-12-28 | — | — | WO | disclosed |
| US-6204222-B1 | SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-20 | — | — | US | disclosed |
| EP-0637298-B1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AG (DE) | 1999-03-31 | — | — | EP | disclosed |
| US-5817603-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-06 | — | — | US | disclosed |
| US-5602074-A | HERBICIDES; PLANT DESICCATION, DEFOLIATION | BASF AKTIENGESELLSCHAFT (DE) | 1997-02-11 | — | — | US | disclosed |
| EP-0641321-A1 | SUBSTITUTED ISOINDOLONES | BASF Aktiengesellschaft (DE) | 1995-03-08 | — | — | EP | disclosed |
| EP-0637298-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF Aktiengesellschaft (DE) | 1995-02-08 | — | — | EP | disclosed |
| WO-1993024456-A1 | SUBSTITUTED ISOINDOLONES | BASF AKTIENGESELLSCHAFT (DE) | 1993-12-09 | — | — | WO | disclosed |
| WO-1993022280-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-11 | — | — | WO | disclosed |