⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3870679 | 1.00 | — | — | |
| SCHEMBL8055110 | 0.78 | OR51E2 (0.32) | — | |
| SCHEMBL4317322 | 0.74 | — | — | |
| SCHEMBL199041 | 0.74 | — | — | |
| SCHEMBL331728 | 0.74 | — | — | |
| SCHEMBL3180399 | 0.74 | OR51E2 (0.39) | — | |
| SCHEMBL199040 | 0.74 | — | — | |
| SCHEMBL7528412 | 0.74 | — | — | |
| SCHEMBL3382387 | 0.74 | — | — | |
| SCHEMBL3382388 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9902986-B2 | Enterobactin conjugates and uses thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2018-02-27 | — | — | US | disclosed |
| WO-2015057958-A2 | ENTEROBACTIN CONJUGATES AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2015-04-23 | — | — | WO | disclosed |
| US-20150105337-A1 | ENTEROBACTIN CONJUGATES AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2015-04-16 | — | — | US | disclosed |
| US-7586089-B2 | Feedback fragmentation in ion trap mass spectrometers | BRUKER DALTONIK GMBH (DE) | 2009-09-08 | — | — | US | disclosed |
| US-20070158544-A1 | FEEDBACK FRAGMENTATION IN ION TRAP MASS SPECTROMETERS | BRUKER DALTONIK GMBH (DE) | 2007-07-12 | — | — | US | disclosed |