⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22900754 | 0.84 | HTR2C (0.35) | — | |
| SCHEMBL21366236 | 0.82 | — | — | |
| SCHEMBL21366009 | 0.82 | — | — | |
| SCHEMBL22900855 | 0.80 | CPB2 (0.31) | — | |
| SCHEMBL21366425 | 0.77 | PDE3B (0.32) | — | |
| SCHEMBL21366234 | 0.75 | NAMPT (0.37) | — | |
| SCHEMBL22900858 | 0.74 | HTT (0.36) | — | |
| SCHEMBL22901013 | 0.70 | RPS6KA5 (0.32) | — | |
| SCHEMBL21366235 | 0.69 | KMT2A (0.34) | — | |
| SCHEMBL2653448 | 0.69 | CYP2C9 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019177975-A1 | ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2019-09-19 | — | — | WO | disclosed |