⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL83071 | 0.76 | — | — | |
| SCHEMBL681449 | 0.76 | — | — | |
| SCHEMBL3656458 | 0.71 | — | — | |
| SCHEMBL10986486 | 0.69 | — | — | |
| SCHEMBL10465 | 0.67 | — | — | |
| SCHEMBL38441 | 0.67 | — | — | |
| SCHEMBL323519 | 0.65 | — | — | |
| SCHEMBL477968 | 0.65 | — | — | |
| SCHEMBL20165746 | 0.65 | — | — | |
| SCHEMBL475047 | 0.65 | — | — |
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-107001286-A | The assimilation compound of dihydro-pyrimidin 2 and its medical usage | 日本烟草产业株式会社 | 2017-08-01 | — | — | CN | disclosed |
| CN-105355975-A | Electrolyte solution and lithium ion battery comprising same | NINGDE AMPEREX TECHNOLOGY LTD | 2016-02-24 | — | — | CN | disclosed |
| CN-105047994-A | Electrolyte and lithium ion battery comprising same | NINGDE AMPEREX TECHNOLOGY LTD | 2015-11-11 | — | — | CN | disclosed |