⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22048815 | 0.79 | SLC6A2 (0.31) | — | |
| SCHEMBL22048898 | 0.74 | FUCA1 (0.32) | — | |
| SCHEMBL21391733 | 0.73 | — | — | |
| SCHEMBL18998457 | 0.73 | — | — | |
| SCHEMBL23547706 | 0.71 | NOS1 (0.39) | — | |
| SCHEMBL18617167 | 0.71 | — | — | |
| SCHEMBL24654498 | 0.71 | — | — | |
| SCHEMBL22987038 | 0.71 | — | — | |
| SCHEMBL20494403 | 0.71 | — | — | |
| SCHEMBL434146 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3735827-A1 | COMPOSITION FOR INHIBITING MICRO-ORGANISMS | Clariant International Ltd (CH) | 2020-11-11 | — | — | EP | disclosed |