⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9528097 | 0.83 | — | — | |
| SCHEMBL7460444 | 0.83 | — | — | |
| SCHEMBL9030688 | 0.83 | — | — | |
| SCHEMBL9528791 | 0.83 | — | — | |
| SCHEMBL3095098 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL1007315 | 0.79 | — | — | |
| SCHEMBL294588 | 0.78 | — | — | |
| SCHEMBL5373316 | 0.77 | — | — | |
| SCHEMBL49983 | 0.77 | KIF11 (0.31) | — | |
| SCHEMBL80520 | 0.77 | KIF11 (0.31) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110573013-B | Plant disease control agent | 明治制果药业株式会社 | 2021-10-29 | — | — | CN | disclosed |
| US-20210120817-A1 | PLANT DISEASE CONTROL AGENT | MEIJI SEIKA PHARMA CO., LTD. (JP) | 2021-04-29 | — | — | US | disclosed |
| US-20200392107-A1 | CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2020-12-17 | — | — | US | disclosed |
| EP-3747879-A1 | CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | Toray Industries, Inc. (JP) | 2020-12-09 | — | — | EP | disclosed |
| CN-110573013-A | Plant disease control agent | 明治制果药业株式会社 | 2019-12-13 | — | — | CN | disclosed |
| CN-105228974-A | Ethylene oligomerization becomes the oligomerization process of the mixture of 1-hexene and 1-octene | SASOL TECH PTY LTD | 2016-01-06 | — | — | CN | disclosed |
| US-8633245-B2 | PAI-1 inhibitor | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2014-01-21 | — | — | US | disclosed |
| EP-2272817-A1 | PAI-1 INHIBITOR | Institute of Medicinal Molecular Design, Inc. (JP) | 2011-01-12 | — | — | EP | disclosed |
| US-20090312315-A1 | PAI-1 INHIBITOR | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2009-12-17 | — | — | US | disclosed |
| US-7259155-B2 | Phosphonic diester derivatives | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2007-08-21 | — | — | US | disclosed |
| US-7205409-B2 | Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) | ABBOTT LABORATORIES (US) | 2007-04-17 | — | — | US | disclosed |
| US-20050256087-A1 | Phosphonic acid diester compounds | OTSUKA PHARMACEUTICAL FACTORY, INC. | 2005-11-17 | — | — | US | disclosed |
| US-20050131019-A1 | Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) | ABBVIE INC. | 2005-06-16 | — | — | US | disclosed |
| EP-0320733-B1 | 2-TERT.-BUTYL-5-ISOXAZOLYL METHYLTHIO-3(2H)-PYRIDAZIN-3-ONE DERIVATIVES | BASF Aktiengesellschaft (DE) | 1993-03-03 | — | — | EP | disclosed |
| US-4929617-A | INSECTICIDES, MITICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1990-05-29 | — | — | US | disclosed |
| EP-0351589-A2 | 3(2H)-Pyridazinone derivatives for controlling snails | BASF Aktiengesellschaft (DE) | 1990-01-24 | — | — | EP | disclosed |
| EP-0320733-A2 | 2-tert.-butyl-5-isoxazolyl methylthio-3(2H)-pyridazin-3-one derivatives | BASF Aktiengesellschaft (DE) | 1989-06-21 | — | — | EP | disclosed |