⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1990611 | 0.75 | — | — | |
| SCHEMBL1245652 | 0.74 | — | — | |
| SCHEMBL717528 | 0.69 | — | — | |
| SCHEMBL7856017 | 0.67 | MAPT (0.42) | — | |
| SCHEMBL28769209 | 0.67 | — | — | |
| SCHEMBL13010817 | 0.67 | — | — | |
| SCHEMBL24776180 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL11849428 | 0.65 | — | — | |
| SCHEMBL1992834 | 0.63 | — | — | |
| SCHEMBL16824100 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105753632-A | Preparation method of 4-bromo-1, 1, 2-trifluoro-1-butene | 浙江蓝天环保高科技股份有限公司 | 2016-07-13 | — | — | CN | disclosed |