⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7317523 | 0.92 | — | — | |
| SCHEMBL10470316 | 0.80 | — | — | |
| SCHEMBL7781675 | 0.75 | CES2 (0.48) | — | |
| SCHEMBL3021679 | 0.72 | — | — | |
| SCHEMBL7543307 | 0.71 | CES2 (0.50) | — | |
| Hexane SCHEMBL275309 | 0.69 | — | — | |
| Hexane SCHEMBL275495 | 0.69 | TSHR (0.58) | — | |
| Hexane SCHEMBL2781361 | 0.69 | TSHR (0.58) | — | |
| Hexane SCHEMBL275660 | 0.69 | TSHR (0.58) | — | |
| SCHEMBL11776999 | 0.69 | CES2 (0.52) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |