⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20247443 | 0.80 | OPRD1 (0.34) | — | |
| SCHEMBL12536198 | 0.72 | — | — | |
| SCHEMBL7626522 | 0.70 | MAPT (0.32) | — | |
| SCHEMBL152172 | 0.66 | — | — | |
| SCHEMBL1335931 | 0.66 | PYGM (0.31) | — | |
| SCHEMBL149091 | 0.62 | — | — | |
| SCHEMBL10774835 | 0.62 | — | — | |
| SCHEMBL8258881 | 0.62 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL13270367 | 0.62 | PYGM (0.35) | — | |
| SCHEMBL21338403 | 0.61 | — | — |
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-2252605-B1 | LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS | INST NAT SANTE RECH MED (FR) | 2018-06-13 | — | — | EP | disclosed |