⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19643374 | 0.71 | — | — | |
| SCHEMBL13440235 | 0.70 | — | — | |
| SCHEMBL29317939 | 0.68 | — | — | |
| SCHEMBL1450358 | 0.65 | — | — | |
| SCHEMBL16577401 | 0.65 | — | — | |
| SCHEMBL17014386 | 0.65 | — | — | |
| SCHEMBL21811702 | 0.65 | TLR4 (0.34) | — | |
| SCHEMBL8316823 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL7759296 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL8318312 | 0.65 | ALDH1A1 (0.31) | — |
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-7622481-B2 | Antibacterial compounds | GLAXO GROUP LIMITED (GB) | 2009-11-24 | — | — | US | disclosed |
| EP-1537123-B1 | AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS | GLAXO GROUP LTD (GB) | 2009-04-29 | — | — | EP | disclosed |