⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17265344 | 0.83 | MMP2 (0.31) | — | |
| SCHEMBL17265254 | 0.81 | — | — | |
| SCHEMBL13626689 | 0.77 | — | — | |
| SCHEMBL24459670 | 0.76 | — | — | |
| SCHEMBL19409276 | 0.74 | CA9 (0.35) | — | |
| SCHEMBL13626685 | 0.74 | — | — | |
| SCHEMBL17265346 | 0.73 | — | — | |
| SCHEMBL18267339 | 0.70 | — | — | |
| SCHEMBL14366380 | 0.70 | — | — | |
| SCHEMBL18674230 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150329582-A1 | SMALL MOLECULE COMPOUNDS SELECTIVE AGAINST GRAM-NEGATIVE BACTERIAL INFECTIONS | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM | 2015-11-19 | — | — | US | disclosed |