⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13520923 | 0.81 | FAAH (0.52) | — | |
| SCHEMBL21622179 | 0.80 | — | — | |
| SCHEMBL23567963 | 0.79 | FAAH (0.56) | — | |
| SCHEMBL18753312 | 0.79 | TP53 (0.32) | — | |
| SCHEMBL20648039 | 0.79 | FAAH (0.56) | — | |
| SCHEMBL21710370 | 0.78 | — | — | |
| SCHEMBL7790310 | 0.76 | CASP2 (0.45) | — | |
| SCHEMBL13995553 | 0.75 | — | — | |
| SCHEMBL20663768 | 0.74 | CA1 (0.36) | — | |
| SCHEMBL23889727 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023164193-A1 | REAGENTS FOR FLUORESCENT, UV, AND MS LABELING OF O-GLYCANS, AND METHODS OF MAKING AND USING THEM | AGILENT TECHNOLOGIES, INC. (US) | 2023-08-31 | — | — | WO | disclosed |
| EP-1314033-B1 | IMMOBILISED PHOSPHATIDIC ACID PROBE | HOLMES ANDREW BRUCE (GB) | 2009-11-18 | — | — | EP | disclosed |