⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25641274 | 0.87 | — | — | |
| SCHEMBL26380874 | 0.86 | — | — | |
| SCHEMBL26382502 | 0.86 | — | — | |
| SCHEMBL1684050 | 0.82 | EPHX2 (0.30) | — | |
| SCHEMBL26223144 | 0.82 | EPHX2 (0.30) | — | |
| SCHEMBL21699673 | 0.82 | EPHX2 (0.30) | — | |
| SCHEMBL23718856 | 0.82 | EPHX2 (0.30) | — | |
| SCHEMBL14198782 | 0.81 | — | — | |
| SCHEMBL25641273 | 0.81 | — | — | |
| SCHEMBL24487387 | 0.77 | EPHX2 (0.39) | — |
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-3778804-A1 | INKJET INK COMPOSITION, METHOD FOR PRODUCING SAME, AND IMAGE-FORMING METHOD | Fujifilm Corporation (JP) | 2021-02-17 | — | — | EP | disclosed |