⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL93251 | 1.00 | — | — | |
| Methane SCHEMBL722104 | 1.00 | — | — | |
| Methane SCHEMBL1615574 | 1.00 | — | — | |
| Methane SCHEMBL93252 | 1.00 | — | — | |
| Methane SCHEMBL7898899 | 1.00 | — | — | |
| Methane SCHEMBL23493562 | 1.00 | — | — | |
| Methane SCHEMBL664518 | 1.00 | — | — | |
| Methane SCHEMBL1305482 | 1.00 | — | — | |
| Methane SCHEMBL3024503 | 1.00 | — | — | |
| Methane SCHEMBL8009844 | 1.00 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3498695-B1 | METHOD FOR SYNTHESIZING 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID | ZHEJIANG YONGTAI TECHNOLOGY CO LTD (CN) | 2020-12-09 | — | — | EP | disclosed |
| US-10556868-B2 | Method for synthesizing 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid and intermediates thereof | ZHEJIANG YONGTAI TECHNOLOGY CO., LTD. (CN) | 2020-02-11 | — | — | US | disclosed |
| US-20190202791-A1 | METHOD FOR SYNTHESIZING 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID AND INTERMEDIATES THEREOF | ZHEJIANG YONGTAI TECHNOLOGY CO., LTD. (CN) | 2019-07-04 | — | — | US | disclosed |
| EP-3498695-A1 | METHOD FOR SYNTHESIZING 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, AND INTERMEDIATES THEREOF | Zhejiang Yongtai Technology Co., Ltd. (CN) | 2019-06-19 | — | — | EP | disclosed |