⚠ 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 | |
|---|---|---|---|---|
| Choline SCHEMBL27857086 | 0.85 | MEN1 (0.43) | — | |
| SCHEMBL358111 | 0.82 | — | — | |
| 1,4-Butanediol SCHEMBL576160 | 0.81 | ATR (0.32) | — | |
| 1,3-Propanediol SCHEMBL575506 | 0.81 | ATR (0.32) | — | |
| SCHEMBL321209 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL357194 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL1865841 | 0.78 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL11271021 | 0.78 | ALDH1A1 (0.38) | — | |
| Water SCHEMBL9500989 | 0.78 | ALDH1A1 (0.38) | — | |
| Fluoride SCHEMBL27565651 | 0.78 | ALDH1A1 (0.38) | — |
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 |