⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5514427 | 0.83 | — | — | |
| SCHEMBL5514897 | 0.81 | — | — | |
| SCHEMBL5514602 | 0.78 | EPHX1 (0.33) | — | |
| SCHEMBL5520660 | 0.78 | EPHX1 (0.33) | — | |
| SCHEMBL5521108 | 0.78 | EPHX1 (0.33) | — | |
| SCHEMBL5518392 | 0.78 | EPHX1 (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL2761024 | 0.72 | EPHX1 (0.33) | — | |
| SCHEMBL2432495 | 0.71 | — | — | |
| SCHEMBL5518366 | 0.70 | — | — | |
| SCHEMBL5523486 | 0.68 | — | — |
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-20070100181-A1 | Olefin isomerization | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | 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 |