SCHEMBL28835703

SCHEMBL28835703

CCS(=O)(=O)c1c[c]cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.35
PTGDR2 Q9Y5Y4 9/20 0.35
SDHB P21912 1/20 0.34
RORC P51449 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
DDR1 Q08345 1/20 0.33

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
SCHEMBL5367944 0.81 PTGS2 (0.39) PTGDR2CA1CA2MMP1MMP2
SCHEMBL17290775 0.80 PSIP1 (0.46) PSIP1
SCHEMBL13063654 0.79 CES2 (0.45) PSIP1PTGDR2CA1CA2MMP1
SCHEMBL5370354 0.79 TRPV4 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL5363525 0.78 KIF11 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL5365852 0.77 KIF11 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL28108528 0.77 PSIP1 (0.40) PSIP1
SCHEMBL23213040 0.75 FFAR4 (0.35) RORCMMP2MMP9DDR1
SCHEMBL25361620 0.73 PSIP1 (0.40) PSIP1PTGDR2RORC
SCHEMBL2287158 0.73 IDO1 (0.35)

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-114502545-B Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-06-28 CN claimed
CN-114867529-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2022-08-05 CN claimed
CN-114502545-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-05-13 CN claimed
CN-114502545-B Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-06-28 CN disclosed
CN-117567338-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2024-02-20 CN disclosed
CN-114867529-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2022-08-05 CN disclosed
CN-114502545-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-05-13 CN disclosed