⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26972383 | 0.92 | — | — | |
| SCHEMBL26972851 | 0.91 | — | — | |
| SCHEMBL26972381 | 0.84 | HDAC2 (0.30) | — | |
| SCHEMBL20990045 | 0.82 | MAOA (0.30) | — | |
| SCHEMBL6040340 | 0.68 | QPCT (0.34) | — | |
| SCHEMBL27689347 | 0.68 | KDM4E (0.34) | — | |
| SCHEMBL3534265 | 0.68 | MAOA (0.36) | — | |
| SCHEMBL6040388 | 0.67 | MAOA (0.49) | — | |
| SCHEMBL3043385 | 0.67 | MAOA (0.49) | — | |
| SCHEMBL3043386 | 0.67 | MAOA (0.49) | — |
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-11858946-B2 | Small molecules active against gram-negative bacteria | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2024-01-02 | — | — | US | disclosed |