⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL29270319 | 0.78 | — | — | |
| Trimethylammonium SCHEMBL27316922 | 0.78 | — | — | |
| SCHEMBL703343 | 0.78 | — | — | |
| Trimethylammonium SCHEMBL27505092 | 0.72 | — | — | |
| SCHEMBL7713865 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL2150536 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL27657733 | 0.65 | — | — | |
| Trimethylammonium SCHEMBL27712553 | 0.65 | — | — | |
| Trimethylammonium SCHEMBL27695204 | 0.65 | — | — | |
| Trimethylammonium SCHEMBL5310222 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105085129-A | Compound containing difluromethylation and preparation method therefor | SHANGHAI INST ORGANIC CHEM | 2015-11-25 | — | — | CN | claimed |
| CN-105085129-A | Compound containing difluromethylation and preparation method therefor | SHANGHAI INST ORGANIC CHEM | 2015-11-25 | — | — | CN | disclosed |