⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4097963 | 0.80 | USP2 (0.32) | — | |
| SCHEMBL28220236 | 0.66 | SLC1A1 (0.39) | — | |
| SCHEMBL28547021 | 0.64 | GRIK1 (0.32) | — | |
| SCHEMBL8070167 | 0.64 | ALDH1A1 (0.48) | — | |
| SCHEMBL8070171 | 0.64 | ALDH1A1 (0.48) | — | |
| SCHEMBL9067361 | 0.64 | ALDH1A1 (0.48) | — | |
| SCHEMBL4082850 | 0.63 | TGFBR1 (0.39) | — | |
| SCHEMBL3396664 | 0.62 | SLC7A5 (0.39) | — | |
| SCHEMBL3503689 | 0.61 | SLC1A1 (0.34) | — | |
| SCHEMBL627560 | 0.60 | PTGS1 (0.47) | — |
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-20090203582-A1 | LYSOBACTIN AMIDES | BAYER HEALTHCARE AG (DE) | 2009-08-13 | — | — | US | disclosed |