SCHEMBL28544913

SCHEMBL28544913

CCCCC(CC)COP(=O)(OCC(CC)CCCC)C(C)CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TSHR P16473 3/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RECQL P46063 1/20 0.42
ALDH1A1 P00352 6/20 0.40
CA2 P00918 3/20 0.40
LMNA P02545 3/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
GPR84 Q9NQS5 3/20 0.36

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
SCHEMBL28613670 0.84 CYP3A4 (0.68) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL29156526 0.82 CYP3A4 (0.60) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL28895751 0.79 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL29992822 0.79 CYP3A4 (0.60) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL30163456 0.77 CYP3A4 (0.62) CYP3A4L3MBTL1TSHRATMTDP1
Bicarbonate SCHEMBL27214387 0.75 CYP3A4 (0.64) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL28613671 0.75 CYP3A4 (0.64) CYP3A4L3MBTL1TSHRATMTDP1
Butyric Acid SCHEMBL27453556 0.75 CYP3A4 (0.58) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL28556610 0.75 CYP3A4 (0.58) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL163886 0.74 CYP3A4 (0.72) CYP3A4L3MBTL1TSHRATMTDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115558806-B Application and method for separating aluminum in rare earth feed liquid by taking phosphoryl carboxylic acid or salt thereof as extractant 中国科学院长春应用化学研究所 2023-12-19 CN claimed
CN-112458282-B Use and method of phosphoryl carboxylic acids or salts thereof for separating yttrium 中国科学院长春应用化学研究所 2023-03-28 CN claimed
CN-115558806-A Application and method for separating aluminum in rare earth feed liquid by using phosphoryl carboxylic acid or salt thereof as extractant 中国科学院长春应用化学研究所 2023-01-03 CN claimed
CN-117265265-A Method for extracting and enriching rare earth 中国科学院赣江创新研究院 2023-12-22 CN disclosed
CN-115558806-B Application and method for separating aluminum in rare earth feed liquid by taking phosphoryl carboxylic acid or salt thereof as extractant 中国科学院长春应用化学研究所 2023-12-19 CN disclosed
CN-116949289-A Phosphonohydroxycarboxylic acids and use and method for separating yttrium 中国科学院赣江创新研究院 2023-10-27 CN disclosed
CN-112458282-B Use and method of phosphoryl carboxylic acids or salts thereof for separating yttrium 中国科学院长春应用化学研究所 2023-03-28 CN disclosed
CN-115558806-A Application and method for separating aluminum in rare earth feed liquid by using phosphoryl carboxylic acid or salt thereof as extractant 中国科学院长春应用化学研究所 2023-01-03 CN disclosed
CN-112458282-A Use and method of phosphoryl carboxylic acids or salts thereof for separating yttrium 中国科学院长春应用化学研究所 2021-03-09 CN disclosed