⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28188408 | 1.00 | — | — | |
| SCHEMBL12113149 | 0.82 | — | — | |
| SCHEMBL5453437 | 0.74 | — | — | |
| SCHEMBL11441835 | 0.74 | — | — | |
| SCHEMBL6232851 | 0.74 | — | — | |
| SCHEMBL851233 | 0.68 | — | — | |
| SCHEMBL316478 | 0.68 | — | — | |
| SCHEMBL130885 | 0.68 | — | — | |
| SCHEMBL7992428 | 0.67 | — | — | |
| SCHEMBL10066350 | 0.67 | — | — |
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-4101842-A1 | METHOD FOR PRODUCING DIFLUOROMETHYL-SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUND | AGC INC. (JP) | 2022-12-14 | — | — | EP | disclosed |