⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL861634 | 0.96 | — | — | |
| Ether SCHEMBL3794585 | 0.92 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL96502 | 0.92 | — | — | |
| Ether SCHEMBL8089271 | 0.92 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL2837591 | 0.92 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL3701280 | 0.92 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL28551364 | 0.89 | — | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL28191474 | 0.88 | TDP1 (0.39) | — | |
| Ether SCHEMBL7738174 | 0.87 | LMNA (0.44) | — | |
| Ether SCHEMBL8728166 | 0.87 | MAPK1 (0.38) | — |
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-102603571-B | Preparation method of 2,4-dichloro-3-cyano-5-fluobenzoic acid | UNIV ZHEJIANG TECHNOLOGY | 2014-08-06 | — | — | CN | disclosed |
| CN-102603571-A | Preparation method of 2,4-dichloro-3-cyano-5-fluobenzoic acid | UNIV ZHEJIANG TECHNOLOGY | 2012-07-25 | — | — | CN | disclosed |
| US-5023366-A | Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1991-06-11 | — | — | US | disclosed |