SCHEMBL28558259

SCHEMBL28558259

O=[N+]([O-])c1cc(C(F)C(F)(F)C(F)(F)F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HIF1A Q16665 2/20 0.49
VCAM1 P19320 1/20 0.46
GRM8 O00222 2/20 0.43
GRM6 O15303 2/20 0.43
GRM4 Q14833 2/20 0.43
CA1 P00915 1/20 0.40
MMP2 P08253 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 3/20 0.39
ATM Q13315 2/20 0.39
LMNA P02545 6/20 0.38
HTT P42858 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
MITF O75030 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL10535167 0.83 TDP1 (0.49) ALDH1A1GRM8GRM6GRM4TDP1
SCHEMBL10701358 0.83 ALDH1A1 (0.47) ALDH1A1GRM8GRM6GRM4CA1
SCHEMBL30155394 0.80 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1GRM8GRM6
SCHEMBL2698568 0.80 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1GRM8GRM6
SCHEMBL10700127 0.76 L3MBTL1 (0.54) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL12868652 0.75 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1GRM8GRM6
SCHEMBL28597192 0.73 ALDH1A1 (0.50) ALDH1A1HIF1AVCAM1GRM8GRM6
SCHEMBL10354279 0.73 TSHR (0.50) ALDH1A1GRM8GRM4SMN1; SMN2TDP1
SCHEMBL7981057 0.73 GRM8 (0.52) ALDH1A1HIF1AVCAM1GRM8GRM6
SCHEMBL16950918 0.72 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1GRM8GRM6

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-112707827-B Synthesis method of 2, 2-bis (3-amino-4-hydroxyphenyl) hexafluoropropane 大连新阳光材料科技有限公司 2022-09-30 CN disclosed
CN-112707827-A Synthesis method of 2, 2-bis (3-amino-4-hydroxyphenyl) hexafluoropropane 大连新阳光材料科技有限公司 2021-04-27 CN disclosed