⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4126338 | 0.78 | — | — | |
| SCHEMBL27978528 | 0.77 | — | — | |
| SCHEMBL9169523 | 0.75 | — | — | |
| SCHEMBL18918231 | 0.75 | — | — | |
| SCHEMBL4138129 | 0.73 | — | — | |
| SCHEMBL27813594 | 0.73 | — | — | |
| SCHEMBL4141884 | 0.73 | — | — | |
| Potassium Ion SCHEMBL30445381 | 0.73 | — | — | |
| SCHEMBL2876981 | 0.73 | — | — | |
| SCHEMBL6009008 | 0.73 | FAAH (0.41) | — |
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-104119238-B | A kind of preparation method of 4-(a chlorine difluoro-methoxy) aniline | 金凯(辽宁)化工有限公司 | 2016-09-21 | — | — | CN | disclosed |