SCHEMBL25207205

SCHEMBL25207205

CC(CC(F)(C(F)(F)F)C(F)(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CTSB P07858 1/20 0.40
TSHR P16473 1/20 0.40
ELANE P08246 1/20 0.39

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
SCHEMBL23008679 0.83 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL11057964 0.81 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL21673421 0.79 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL21289889 0.79 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL18082683 0.79 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL19224102 0.78 ALDH1A1 (0.59) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL4908107 0.78 ALDH1A1 (0.59) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7933968 0.77 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL265176 0.77 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL8954882 0.77 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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-118284591-A Secondonohydrofluoroalkane selective adduct and process for producing the same 国立大学法人 奈良先端科学技术大学院大学 2024-07-02 CN disclosed
WO-2023090086-A1 SECONDARY MONOHYDROFLUOROALKANE SELECTIVE ADDUCT AND METHOD FOR PRODUCING SAME 国立大学法人 奈良先端科学技術大学院大学 2023-05-25 WO disclosed