SCHEMBL28829259

SCHEMBL28829259

O=C(c1cccs1)C(F)(F)F.O=C[Eu]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
DAO P14920 1/20 0.47
RAB9A P51151 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HDAC1 Q13547 3/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HDAC6 Q9UBN7 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC3 O15379 1/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
GAA P10253 1/20 0.42
HPGDS O60760 1/20 0.42
GSK3B P49841 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL1760911 0.91 CES1 (0.58) CES2CES1DAORAB9AMEN1
Acetaldehyde SCHEMBL29025768 0.89 CES2 (0.48) CES2CES1DAORAB9AMEN1
SCHEMBL25354650 0.85 CES1 (0.52) CES2CES1DAORAB9AMEN1
Acetone SCHEMBL27550967 0.85 CES2 (0.52) CES2CES1DAORAB9AMEN1
SCHEMBL7037574 0.83 CES2 (0.58) CES2CES1DAORAB9AMEN1
SCHEMBL28704087 0.76 CES2 (0.54) CES2CES1DAORAB9AMEN1
SCHEMBL6120893 0.75 CES2 (0.44) CES2CES1DAORAB9AMEN1
SCHEMBL5394296 0.74 CES2 (0.62) CES2CES1DAORAB9AMEN1
SCHEMBL1925969 0.72 TSHR (0.47) CES2CES1DAORAB9AMEN1
Thiophene Carboxylic Acid SCHEMBL4617799 0.72 DAO (0.76) CES2CES1DAORAB9AMEN1

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-117265774-A Nanofiber thermal detection film and preparation method and application thereof 南方科技大学 2023-12-22 CN disclosed
CN-114836128-A Temperature-indicating luminous coating and preparation method and application thereof 中国科学院长春应用化学研究所 2022-08-02 CN disclosed