⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24219 | 0.97 | — | — | |
| SCHEMBL27956729 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL7592411 | 0.94 | — | — | |
| Oxalic Acid SCHEMBL28297998 | 0.87 | ALDH1A1 (0.50) | — | |
| SCHEMBL27848085 | 0.82 | ALDH1A1 (0.44) | — | |
| Methacrylic Acid SCHEMBL28165816 | 0.82 | ALDH1A1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL9049560 | 0.82 | ALDH1A1 (0.44) | — | |
| SCHEMBL1253473 | 0.81 | — | — | |
| SCHEMBL28155150 | 0.80 | ALDH1A1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL28991153 | 0.79 | — | — |
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-103518772-B | Containing the herbicidal composition of careless ammonium phosphine, glyphosate and azoles humulone | GUANGXI SANJING CHEMICAL TECHNOLOGY CO., LTD. (CN) | 2015-08-26 | — | — | CN | disclosed |
| CN-103518772-A | Herbicide composition containing glufosinate ammonium, glyphosate and carfentrazone-ethyl | GUANGXI SANJING CHEMICAL TECHNOLOGY CO LTD | 2014-01-22 | — | — | CN | disclosed |