⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22647546 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL22395919 | 0.84 | — | — | |
| SCHEMBL12350814 | 0.73 | — | — | |
| SCHEMBL2376716 | 0.72 | — | — | |
| SCHEMBL23364746 | 0.70 | — | — | |
| SCHEMBL17818969 | 0.67 | FUCA1 (0.32) | — | |
| SCHEMBL17311010 | 0.67 | SLC6A4 (0.37) | — | |
| SCHEMBL17310990 | 0.67 | SLC6A4 (0.37) | — | |
| SCHEMBL17311185 | 0.67 | SLC6A4 (0.37) | — | |
| SCHEMBL2850981 | 0.67 | SLC6A4 (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 |
|---|---|---|---|---|---|---|---|
| CN-105837454-A | Synthesis method of 3,3-difluorocyclohexyl methylamine | 河南师范大学 | 2016-08-10 | — | — | CN | disclosed |