SCHEMBL28778993

SCHEMBL28778993

O=C(O)C(O)C(O)CC(O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
PDE4A P27815 1/20 0.44
PGD P52209 1/20 0.43
CYP2C9 P11712 1/20 0.39
OR51E2 Q9H255 1/20 0.35
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.31
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
TET2 Q6N021 2/20 0.31
KDM4A O75164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31

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
SCHEMBL26138082 0.88 TSHR (0.56) TSHRPDE4APGDCYP2C9OR51E2
SCHEMBL4995658 0.80 TSHR (0.47) TSHRPDE4APGDCYP2C9OR51E2
SCHEMBL21067861 0.80 TSHR (0.47) TSHRPDE4APGDCYP2C9OR51E2
SCHEMBL12876328 0.80 TSHR (0.47) TSHRPDE4APGDCYP2C9OR51E2
SCHEMBL4995664 0.80 TSHR (0.47) TSHRPDE4APGDCYP2C9OR51E2
SCHEMBL16600087 0.78 TSHR (0.45) TSHRPDE4APGDCYP2C9TP53
SCHEMBL29625986 0.76 SLC7A5 (0.52) TSHR
SCHEMBL17984917 0.76 PDE4A (0.56) TSHRPDE4APGDCYP2C9OR51E2
SCHEMBL16600448 0.76 PDE4A (0.50) TSHRPDE4APGDCYP2C9OR51E2
SCHEMBL17984920 0.76 TSHR (0.43) TSHRPDE4APGDCYP2C9TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114752939-A Etching solution and preparation method and application thereof 光华科学技术研究院(广东)有限公司 2022-07-15 CN claimed
CN-114752939-A Etching solution and preparation method and application thereof 光华科学技术研究院(广东)有限公司 2022-07-15 CN disclosed