SCHEMBL28520802

SCHEMBL28520802

C=C(C)C.CC(C)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Ethylene SCHEMBL19987895 0.79
Methyl Alcohol SCHEMBL169224 0.79
Methyl Alcohol SCHEMBL9117524 0.79 TSHR (0.33) TSHRCA12CA1CA2CA9
Methacrylic Acid SCHEMBL3642985 0.78 TSHR (0.39) TSHR
SCHEMBL7240952 0.78
SCHEMBL10940023 0.78
SCHEMBL1331944 0.78
SCHEMBL1296 0.78
Acetone SCHEMBL48978 0.77 TSHR (0.50) TSHRCA1
Formaldehyde SCHEMBL5022874 0.75

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112251295-B Preparation method of iodized vegetable oil ester 兰州大学 2022-07-22 CN disclosed
CN-112300868-B Iodination method of vegetable oil ester 兰州大学 2022-04-29 CN disclosed
CN-112300868-A Iodination method of vegetable oil ester 兰州大学 2021-02-02 CN disclosed
CN-112251295-A Preparation method of iodized vegetable oil ester 兰州大学 2021-01-22 CN disclosed