⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27878463 | 0.92 | — | — | |
| SCHEMBL27878496 | 0.76 | — | — | |
| SCHEMBL4468 | 0.69 | — | — | |
| SCHEMBL198515 | 0.69 | — | — | |
| SCHEMBL8722989 | 0.67 | — | — | |
| SCHEMBL20180544 | 0.67 | — | — | |
| SCHEMBL1655387 | 0.67 | — | — | |
| SCHEMBL21114291 | 0.67 | KMT2A (0.54) | — | |
| SCHEMBL258383 | 0.67 | — | — | |
| SCHEMBL21114252 | 0.67 | KMT2A (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102781904-A | Chemical light producing formulations and devices containing branched oxalate esters | CYALUME TECHNOLOGIES INC | 2012-11-14 | — | — | CN | disclosed |