⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8074082 | 1.00 | — | — | |
| SCHEMBL20506888 | 1.00 | — | — | |
| SCHEMBL8950547 | 0.82 | CAMK2A (0.33) | — | |
| SCHEMBL2167854 | 0.79 | — | — | |
| SCHEMBL9635141 | 0.79 | SQLE (0.41) | — | |
| SCHEMBL15801481 | 0.77 | — | — | |
| SCHEMBL20573857 | 0.71 | — | — | |
| SCHEMBL20573855 | 0.71 | — | — | |
| SCHEMBL9454539 | 0.71 | — | — | |
| SCHEMBL9863332 | 0.71 | SQLE (0.67) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0153720-B1 | SPERGUALIN-RELATED COMPOUNDS HAVING A PHENYLENE GROUP, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) | 1988-11-09 | — | — | EP | claimed |
| US-20240228413-A1 | METHOD OF PREPARING ALIPHATIC POLYOLS HAVING THREE OR MORE HYDROXY GROUPS AND A TOTAL NUMBER OF CARBON ATOMS OF 5 OR MORE | BASF SE (DE) | 2024-07-11 | — | — | US | disclosed |
| US-10711108-B2 | Crosslinking materials from biorenewable aconitic acid | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2020-07-14 | — | — | US | disclosed |
| US-10233293-B2 | Crosslinking materials from biorenewable aconitic acid | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2019-03-19 | — | — | US | disclosed |
| US-20190002651-A1 | CROSSLINKING MATERIALS FROM BIORENEWABLE ACONITIC ACID | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2019-01-03 | — | — | US | disclosed |
| US-10160838-B2 | Crosslinking materials from biorenewable aconitic acid | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2018-12-25 | — | — | US | disclosed |
| US-20180273704-A1 | CROSSLINKING MATERIALS FROM BIORENEWABLE ACONITIC ACID | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2018-09-27 | — | — | US | disclosed |
| US-20180273706-A1 | CROSSLINKING MATERIALS FROM BIORENEWABLE ACONITIC ACID | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2018-09-27 | — | — | US | disclosed |
| US-20100274026-A1 | Virus therapeutic drug | CHUGAI SEIYAKU KABUSHIKI KAISHA | 2010-10-28 | — | — | US | disclosed |
| US-7776918-B2 | Remedy for viral disease | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-08-17 | — | — | US | disclosed |
| EP-1038533-A1 | MEDICINAL COMPOSITIONS FOR TREATING IMMUNODEFICIENCY DISEASES | Nippon Kayaku Kabushiki Kaisha (JP) | 2000-09-27 | — | — | EP | disclosed |
| EP-0153720-B1 | SPERGUALIN-RELATED COMPOUNDS HAVING A PHENYLENE GROUP, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) | 1988-11-09 | — | — | EP | disclosed |
| US-4556735-A | BACTERICIDE, ANTITUMOR AGENT | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) | 1985-12-03 | — | — | US | disclosed |