⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14543966 | 1.00 | — | — | |
| SCHEMBL12266551 | 1.00 | — | — | |
| SCHEMBL13792939 | 0.94 | — | — | |
| SCHEMBL13105405 | 0.93 | — | — | |
| SCHEMBL13637249 | 0.92 | — | — | |
| SCHEMBL14080237 | 0.90 | — | — | |
| SCHEMBL15450664 | 0.90 | MLNR (0.30) | — | |
| SCHEMBL14000791 | 0.90 | — | — | |
| SCHEMBL14389168 | 0.87 | DAGLA (0.32) | — | |
| SCHEMBL15450659 | 0.85 | LMNA (0.30) | — |
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-2329018-B1 | METHOD FOR THE ANNOTATION OF NATURAL PRODUCT GENE-CLUSTERS AND FOR THE GENERATION OF NOVEL BIOLOGICALLY ACTIVE CHEMICAL ENTITIES FROM DNA SEQUENCES IN SILICO | GENQUAD AG (CH) | 2014-09-10 | — | — | EP | disclosed |