⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11774815 | 0.73 | — | — | |
| SCHEMBL2865601 | 0.71 | — | — | |
| SCHEMBL5585331 | 0.69 | — | — | |
| SCHEMBL12524742 | 0.69 | — | — | |
| SCHEMBL22443726 | 0.65 | — | — | |
| SCHEMBL25074462 | 0.63 | — | — | |
| SCHEMBL10718503 | 0.62 | — | — | |
| Boric Acid SCHEMBL22118651 | 0.62 | — | — | |
| SCHEMBL27219498 | 0.60 | — | — | |
| SCHEMBL3876250 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104364070-B | Azetidinium-containing copolymers and uses thereof | 诺华股份有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-104364070-A | Azetidinium-containing copolymers and uses thereof | NOVARTIS AG | 2015-02-18 | — | — | CN | disclosed |