⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4292874 | 0.77 | NTRK1 (0.48) | — | |
| SCHEMBL6366698 | 0.74 | CHRNB2 (0.43) | — | |
| SCHEMBL11273849 | 0.70 | CHRNB2 (0.49) | — | |
| SCHEMBL9385174 | 0.70 | CHRNB2 (0.49) | — | |
| SCHEMBL4105088 | 0.70 | NTRK1 (0.51) | — | |
| SCHEMBL13017574 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL10241008 | 0.69 | NTRK1 (0.50) | — | |
| SCHEMBL28569805 | 0.69 | — | — | |
| SCHEMBL3452534 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL13017575 | 0.66 | CHRNB2 (0.47) | — |
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-103896914-B | Two centre nicotine class ionic liquid and preparation method thereof and electrolytic solution and lithium ion battery | Haiyangwang Lighting Technology Co., Ltd. (CN) | 2016-01-20 | — | — | CN | disclosed |
| CN-103896914-A | Double-center nicotine ionic liquid and preparation method thereof as well as electrolyte and lithium ion battery | OCEANS KING LIGHTING SCIENCE | 2014-07-02 | — | — | CN | disclosed |