⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9578076 | 0.79 | — | — | |
| SCHEMBL15850761 | 0.74 | — | — | |
| SCHEMBL12470796 | 0.72 | — | — | |
| SCHEMBL27995119 | 0.72 | — | — | |
| SCHEMBL13438489 | 0.69 | KDM4E (0.30) | — | |
| SCHEMBL18685267 | 0.69 | JAK3 (0.30) | — | |
| SCHEMBL12948519 | 0.69 | — | — | |
| SCHEMBL26596843 | 0.67 | — | — | |
| Ligustrazine SCHEMBL77624 | 0.67 | LMNA (0.41) | — | |
| Ligustrazine SCHEMBL27509607 | 0.67 | LMNA (0.41) | — |
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-3823054-A1 | PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND | FUJIFILM Corporation (JP) | 2021-05-19 | — | — | EP | disclosed |