⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7318264 | 0.75 | — | — | |
| SCHEMBL18735013 | 0.67 | — | — | |
| SCHEMBL766221 | 0.65 | — | — | |
| SCHEMBL7414350 | 0.64 | — | — | |
| SCHEMBL82321 | 0.64 | — | — | |
| SCHEMBL122312 | 0.64 | — | — | |
| SCHEMBL28348968 | 0.60 | — | — | |
| SCHEMBL28376013 | 0.60 | — | — | |
| SCHEMBL30093000 | 0.60 | — | — | |
| Hydrogen Sulfide SCHEMBL28022286 | 0.60 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4918074-A | CALCIUM ANTAGONISTS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1990-04-17 | — | — | US | disclosed |
| EP-0217142-A2 | A polyazaheterocyclic compound | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1987-04-08 | — | — | EP | disclosed |
| EP-0104432-A2 | Herbicide and plant growth regulator comprising alpha-beta-unsaturated compound | TEIJIN LIMITED (JP) | 1984-04-04 | — | — | EP | disclosed |
| US-4352928-A | ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC | MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) | 1982-10-05 | — | — | US | disclosed |
| EP-0022481-A1 | 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions | Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) | 1981-01-21 | — | — | EP | disclosed |