⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9618300 | 0.80 | CES2 (0.32) | — | |
| SCHEMBL9516243 | 0.76 | — | — | |
| SCHEMBL1144196 | 0.76 | — | — | |
| SCHEMBL423208 | 0.75 | — | — | |
| SCHEMBL4758776 | 0.75 | — | — | |
| SCHEMBL11630550 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL16919772 | 0.74 | CYP4F2 (0.31) | — | |
| SCHEMBL19582765 | 0.74 | CES2 (0.31) | — | |
| SCHEMBL1583583 | 0.73 | — | — | |
| SCHEMBL1895685 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111517954-A | (Z) -5-fluoro-2-difluoromethylene olefin derivative and preparation method thereof | 浙江师范大学 | 2020-08-11 | — | — | CN | claimed |
| CN-111517954-A | (Z) -5-fluoro-2-difluoromethylene olefin derivative and preparation method thereof | 浙江师范大学 | 2020-08-11 | — | — | CN | disclosed |
| CN-105859621-A | Difluoromethylene phenanthridine derivative and preparation method thereof | 上海大学 | 2016-08-17 | — | — | CN | disclosed |