⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL473673 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL3573670 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6373024 | 0.72 | — | — | |
| SCHEMBL19343235 | 0.69 | AOC1 (0.38) | — | |
| SCHEMBL15382405 | 0.67 | — | — | |
| SCHEMBL4173583 | 0.67 | — | — | |
| SCHEMBL9974275 | 0.65 | — | — | |
| SCHEMBL19302345 | 0.65 | — | — | |
| 2,2,2-Trifluoroethanaminium SCHEMBL30811362 | 0.65 | — | — | |
| SCHEMBL16215391 | 0.65 | — | — |
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-10688169-B2 | Vaccines against carbapenem-resistant Klebsiella pneumoniae | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2020-06-23 | — | — | US | disclosed |
| US-20180078630-A1 | VACCINES AGAINST CARBAPENEM-RESISTANT KLEBSIELLA PNEUMONIAE | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2018-03-22 | — | — | US | disclosed |