⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1735075 | 0.94 | EPHX1 (0.31) | — | |
| SCHEMBL1858855 | 0.81 | LMNA (0.32) | — | |
| SCHEMBL358749 | 0.80 | EPHX1 (0.33) | — | |
| SCHEMBL356600 | 0.78 | EPHX1 (0.32) | — | |
| SCHEMBL1293541 | 0.77 | EPHX1 (0.36) | — | |
| SCHEMBL3780713 | 0.72 | EPHX1 (0.41) | — | |
| SCHEMBL3770728 | 0.72 | EPHX1 (0.41) | — | |
| SCHEMBL3645808 | 0.72 | EPHX1 (0.41) | — | |
| SCHEMBL514370 | 0.72 | EPHX1 (0.41) | — | |
| SCHEMBL2761031 | 0.70 | EPHX1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20070100181-A1 | Olefin isomerization | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | US | disclosed |