⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3944395 | 0.72 | KAT2A (0.44) | — | |
| SCHEMBL19532100 | 0.68 | — | — | |
| SCHEMBL19532101 | 0.68 | — | — | |
| SCHEMBL10069773 | 0.62 | — | — | |
| SCHEMBL11078435 | 0.62 | — | — | |
| SCHEMBL18536446 | 0.61 | — | — | |
| SCHEMBL15134248 | 0.60 | — | — | |
| SCHEMBL13502520 | 0.60 | — | — | |
| SCHEMBL10264673 | 0.59 | — | — | |
| SCHEMBL14850112 | 0.59 | — | — |
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-20170313669-A1 | LACTONE COMPOUNDS AND METHODS OF MAKING AND USING SAME | THE SCRIPPS RESEARCH INSTITUTE | 2017-11-02 | — | — | US | disclosed |