⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28945892 | 0.80 | — | — | |
| SCHEMBL30387935 | 0.74 | — | — | |
| SCHEMBL339701 | 0.70 | — | — | |
| SCHEMBL30388556 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL2465562 | 0.69 | — | — | |
| SCHEMBL10339407 | 0.65 | — | — | |
| SCHEMBL37487 | 0.65 | — | — | |
| SCHEMBL993677 | 0.65 | — | — | |
| SCHEMBL201983 | 0.63 | — | — | |
| SCHEMBL8499399 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104529899-A | Method for preparing 1-alkyl-3-halogenated alkyl pyrazole derivative with high regioselectivity | ZHEJIANG TIDE CROP TECHNOLOGY CO LTD | 2015-04-22 | — | — | CN | disclosed |
| CN-104496902-A | High-regioselectivity preparation method of 1,3,4-substituted pyrazole compound | ZHEJIANG TIDE CROP TECH CO LTD | 2015-04-08 | — | — | CN | disclosed |
| CN-104496903-A | High-regioselectivity synthesizing method of 1-alkyl-3-halogenated alkylpyrazole derivative | ZHEJIANG TIDE CROP TECHNOLOGY CO LTD | 2015-04-08 | — | — | CN | disclosed |
| CN-101535223-A | Purification process and method for the preparation of fluorocarbons | DU PONT (US) | 2009-09-16 | — | — | CN | disclosed |
| US-5990140-A | 2-ALKYL OR CYCLOALKYL-4-PHENYL-2-OXAZOLINE DERIVATIVES; PESTICIDES; INSECTICIDES; MITICIDES; LARVICIDES; LOW DOSAGE | BAYER AKTIENGESELLSCHAFT (DE) | 1999-11-23 | — | — | US | disclosed |