⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5028180 | 1.00 | — | — | |
| SCHEMBL25394341 | 0.87 | — | — | |
| SCHEMBL14124206 | 0.81 | — | — | |
| SCHEMBL12640039 | 0.77 | — | — | |
| SCHEMBL25393245 | 0.77 | — | — | |
| SCHEMBL12192065 | 0.75 | PTGS2 (0.31) | — | |
| SCHEMBL28402574 | 0.72 | — | — | |
| SCHEMBL777039 | 0.70 | CA1 (0.48) | — | |
| SCHEMBL6229386 | 0.70 | CA1 (0.33) | — | |
| SCHEMBL19900135 | 0.69 | SCN9A (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018037086-A1 | DIFLUORINATED COMPOUNDS AS DEPIGMENTING OR LIGHTENING AGENTS | TFCHEM (FR) | 2018-03-01 | — | — | WO | disclosed |