⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7664678 | 0.71 | — | — | |
| SCHEMBL7128824 | 0.69 | — | — | |
| SCHEMBL8761104 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL11212717 | 0.67 | — | — | |
| SCHEMBL25445948 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL9989029 | 0.65 | — | — | |
| SCHEMBL8538971 | 0.65 | — | — | |
| SCHEMBL1343125 | 0.65 | — | — | |
| SCHEMBL1193863 | 0.62 | — | — | |
| SCHEMBL678343 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104487496-B | The material coated through calixarenes | 布鲁塞尔私立大学 | 2018-09-18 | — | — | CN | disclosed |
| CN-104487496-A | Materials coated with calixarenes | UNIV LIBRE DE BRUXELLES ULB | 2015-04-01 | — | — | CN | disclosed |