⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1427568 | 1.00 | — | — | |
| SCHEMBL1427570 | 1.00 | — | — | |
| SCHEMBL1066497 | 0.81 | HCAR2 (0.42) | — | |
| SCHEMBL17466111 | 0.81 | — | — | |
| SCHEMBL589407 | 0.81 | HCAR2 (0.42) | — | |
| SCHEMBL589408 | 0.81 | HCAR2 (0.42) | — | |
| SCHEMBL25408866 | 0.78 | TSHR (0.46) | — | |
| SCHEMBL6439868 | 0.78 | — | — | |
| SCHEMBL5597479 | 0.78 | TSHR (0.46) | — | |
| SCHEMBL5597480 | 0.78 | TSHR (0.46) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9580444-B2 | Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof | SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) | 2017-02-28 | — | — | US | disclosed |
| US-20160024110-A1 | POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2016-01-28 | — | — | US | disclosed |
| EP-2975040-A1 | POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF | Sagami Chemical Research Institute (JP) | 2016-01-20 | — | — | EP | disclosed |
| US-20090029857-A1 | Synergistic Herbicidal Compositions | ISAGRO RICERCA S.R.L. (IT) | 2009-01-29 | — | — | US | disclosed |
| US-5072006-A | Chemical intermeidate; hypotensive agents, muscle relaxants | RECHERCHE SYNTEX FRANCE S.A. (FR) | 1991-12-10 | — | — | US | disclosed |
| US-4997846-A | Smooth muscle relaxants, hypotensives | RESEARCHE SYNTEX FRANCE, S.A. (FR) | 1991-03-05 | — | — | US | disclosed |
| EP-0377966-A2 | Novel benzopyranylpyrrolinone derivatives | RECHERCHE SYNTEX FRANCE SA (FR) | 1990-07-18 | — | — | EP | disclosed |
| EP-0378073-A1 | Process for the preparation of 1,3-cyclopentandione | LONZA AG (CH) | 1990-07-18 | — | — | EP | disclosed |