SCHEMBL23701654

SCHEMBL23701654

O=S(=O)(n1cnc2ccccc21)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 4/20 0.56
HTT P42858 4/20 0.53
POLB P06746 2/20 0.53
NOD1 Q9Y239 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HSD17B10 Q99714 1/20 0.51
GAA P10253 3/20 0.50
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.46
MET P08581 1/20 0.43

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
SCHEMBL22462430 0.80 ALDH3A1 (0.61) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL1804076 0.80 HTT (0.66) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL7100805 0.77 ALDH3A1 (0.61) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL830432 0.77 ALDH3A1 (0.57) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL1070947 0.77 ALDH3A1 (0.57) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL516855 0.77 ALDH3A1 (0.61) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL5945157 0.76 ALDH3A1 (0.46) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL5080750 0.75 ALDH3A1 (0.55) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL21820015 0.74 HTT (0.58) ALDH3A1HTTPOLBNOD1L3MBTL1
SCHEMBL422055 0.74 ALDH3A1 (0.77) ALDH3A1HTTPOLBNOD1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118878466-A Trifluoro-azole and its preparation method 特里纳普克公司 2024-11-01 CN disclosed
CN-115038692-B Trifluoro-azole and its preparation method 特里纳普克公司 2024-07-16 CN disclosed
EP-4097089-A1 TRIFLAZOLES AND METHODS OF MAKING THE SAME Trinapco, Inc (US) 2022-12-07 EP disclosed
CN-115038692-A Trifluozole and preparation method thereof 特里纳普克公司 2022-09-09 CN disclosed
US-11242322-B2 Triflazoles and methods of making the same TRINAPCO, INC. (US) 2022-02-08 US disclosed
US-20210238142-A1 TRIFLAZOLES AND METHODS OF MAKING THE SAME TRINAPCO, INC. (US) 2021-08-05 US disclosed
WO-2021154345-A1 TRIFLAZOLES AND METHODS OF MAKING THE SAME TRINAPCO, INC. (US) 2021-08-05 WO disclosed