⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22698921 | 0.88 | TRPM8 (0.35) | — | |
| SCHEMBL22698922 | 0.88 | TRPM8 (0.35) | — | |
| SCHEMBL22250980 | 0.80 | PDK2 (0.31) | — | |
| SCHEMBL15910171 | 0.75 | ACHE (0.38) | — | |
| SCHEMBL12325217 | 0.73 | PDK2 (0.37) | — | |
| SCHEMBL2464375 | 0.71 | PDK2 (0.38) | — | |
| SCHEMBL13021491 | 0.71 | PDK2 (0.38) | — | |
| SCHEMBL19883138 | 0.71 | — | — | |
| SCHEMBL12325034 | 0.70 | PDK2 (0.40) | — | |
| SCHEMBL14520992 | 0.70 | PDK2 (0.40) | — |
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-3647392-A1 | LIGHT-EMITTING MATERIAL, COMPOUND, LONG-PERSISTENT PHOSPHOR AND LIGHT-EMITTING ELEMENT | Kyulux, Inc. (JP) | 2020-05-06 | — | — | EP | disclosed |