⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1862536 | 0.78 | MEN1 (0.30) | — | |
| Lithium Ion SCHEMBL1865839 | 0.78 | — | — | |
| SCHEMBL15555718 | 0.78 | — | — | |
| Potassium Ion SCHEMBL357193 | 0.78 | — | — | |
| SCHEMBL15555175 | 0.78 | — | — | |
| SCHEMBL23295130 | 0.78 | — | — | |
| Lithium Ion SCHEMBL31748056 | 0.75 | — | — | |
| Tetrylammonium SCHEMBL16107498 | 0.73 | TSHR (0.33) | — | |
| Choline SCHEMBL357235 | 0.72 | MEN1 (0.41) | — | |
| SCHEMBL358111 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120011886-A1 | IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS | E. I. DU PONT DE NEMOURS AND COMPANY | 2012-01-19 | — | — | US | claimed |
| US-20120011886-A1 | IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS | E. I. DU PONT DE NEMOURS AND COMPANY | 2012-01-19 | — | — | US | disclosed |