⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5702461 | 0.77 | MMP8 (0.31) | — | |
| SCHEMBL7645453 | 0.77 | TRPA1 (0.32) | — | |
| SCHEMBL7643397 | 0.73 | HTT (0.34) | — | |
| SCHEMBL5983969 | 0.73 | HTT (0.34) | — | |
| SCHEMBL11100069 | 0.72 | — | — | |
| SCHEMBL6637475 | 0.71 | GRIN2D (0.32) | — | |
| SCHEMBL4024044 | 0.71 | CYP1A2 (0.34) | — | |
| SCHEMBL7046464 | 0.71 | — | — | |
| SCHEMBL6891299 | 0.71 | — | — | |
| SCHEMBL9192197 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103130848-B | Macrolide antibacterial compounds, and preparation method and application thereof | UNIV PLA 2ND MILITARY MEDICAL | 2015-07-08 | — | — | CN | disclosed |