⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5000231 | 0.76 | — | — | |
| SCHEMBL3537116 | 0.70 | — | — | |
| SCHEMBL1917338 | 0.65 | — | — | |
| SCHEMBL6693063 | 0.63 | — | — | |
| SCHEMBL3537152 | 0.63 | — | — | |
| SCHEMBL3937999 | 0.61 | — | — | |
| SCHEMBL2363962 | 0.61 | — | — | |
| SCHEMBL6429181 | 0.61 | — | — | |
| SCHEMBL28789855 | 0.60 | — | — | |
| SCHEMBL19423555 | 0.59 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116568690-A | Material for organic electroluminescent device | 默克专利有限公司 | 2023-08-08 | — | — | CN | disclosed |
| EP-0261439-B1 | MEDICAMENT FOR CURING ARTERIOSCLEROSIS, COMPRISING PYRIMIDO (2,1-B) BENZOTHIAZOLE DERIVATIVE | MECT CORPORATION (JP) | 1991-09-04 | — | — | EP | disclosed |
| EP-0261439-A2 | Medicament for curing arteriosclerosis, comprising pyrimido (2,1-b) benzothiazole derivative | MECT CORPORATION (JP) | 1988-03-30 | — | — | EP | disclosed |