SCHEMBL28077920

SCHEMBL28077920

O=C(O)CC(CC(=O)O)(OP(=O)(O)OP(=O)(O)O)C(=O)O.[NaH].[NaH]

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MVD P53602 6/20 0.43
BTN3A1 O00481 2/20 0.33
FDPS P14324 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL23012624 0.98 MVD (0.42) MVDBTN3A1FDPSBLMTDP1
SCHEMBL923933 0.98 MVD (0.44) MVDBTN3A1FDPSBLMTDP1
SCHEMBL2131614 0.96 MVD (0.43) MVDBTN3A1FDPSBLMTDP1
SCHEMBL28365537 0.95 MVD (0.42) MVDBTN3A1FDPSBLMTDP1
SCHEMBL23012676 0.95 MVD (0.42) MVDBTN3A1FDPSBLMTDP1
SCHEMBL6695579 0.84 ALDH1A1 (0.36) MVDBLMTDP1ALDH1A1CYP2D6
SCHEMBL17559293 0.84 ALDH1A1 (0.36) MVDBLMTDP1ALDH1A1CYP2D6
SCHEMBL10437619 0.84 ALDH1A1 (0.36) MVDBLMTDP1ALDH1A1CYP2D6
SCHEMBL686740 0.84 ALDH1A1 (0.36) MVDBLMTDP1ALDH1A1CYP2D6
SCHEMBL28036003 0.84 ALDH1A1 (0.36) MVDBLMTDP1ALDH1A1CYP2D6

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105293913-B A kind of celadon glaze and preparation method thereof 龙泉市金宏瓷业有限公司 2016-09-07 CN claimed
CN-105036558-B Micro-nano is combined glaze 龙泉市金宏瓷业有限公司 2016-08-24 CN claimed
US-12037631-B2 System and method for detecting a target enzyme CITY UNIVERSITY OF HONG KONG (HK) 2024-07-16 US disclosed
CN-105293913-B A kind of celadon glaze and preparation method thereof 龙泉市金宏瓷业有限公司 2016-09-07 CN disclosed
CN-105036558-B Micro-nano is combined glaze 龙泉市金宏瓷业有限公司 2016-08-24 CN disclosed