⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7390 | 1.00 | — | — | |
| SCHEMBL23141888 | 0.90 | — | — | |
| SCHEMBL8065 | 0.90 | — | — | |
| SCHEMBL125215 | 0.78 | — | — | |
| SCHEMBL6230707 | 0.78 | — | — | |
| SCHEMBL841786 | 0.69 | — | — | |
| SCHEMBL5872595 | 0.65 | — | — | |
| SCHEMBL6201883 | 0.65 | — | — | |
| SCHEMBL4353199 | 0.65 | — | — | |
| SCHEMBL10058373 | 0.65 | NOS2 (0.33) | — |
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-112110944-B | Compound and preparation method and application thereof | 南京谷睿生物科技有限公司 | 2022-02-11 | — | — | CN | disclosed |
| WO-2020253352-A1 | COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 南京谷睿生物科技有限公司 | 2020-12-24 | — | — | WO | disclosed |
| CN-112110944-A | Compound and preparation method and application thereof | 南京谷睿生物科技有限公司 | 2020-12-22 | — | — | CN | disclosed |