SCHEMBL29639641

SCHEMBL29639641

CCS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.55
HCAR1 Q9BXC0 1/20 0.48
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
ACLY P53396 1/20 0.41
CYP1A2 P05177 1/20 0.41
WDR5 P61964 1/20 0.41
DDR1 Q08345 5/20 0.40
PSIP1 O75475 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TTR P02766 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
FABP4 P15090 1/20 0.37

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
SCHEMBL22926203 1.00 TPMT (0.55) TPMTHCAR1LCKFYNACLY
SCHEMBL18503825 0.87 LCK (0.54) TPMTHCAR1LCKFYNCYP1A2
SCHEMBL3510697 0.87 LCK (0.59) TPMTLCKFYNCYP1A2WDR5
SCHEMBL24927555 0.84 PARP1 (0.42) TPMTDDR1PTGDR2
SCHEMBL31401486 0.83 TPMT (0.52) TPMTHCAR1LCKFYNACLY
SCHEMBL29728965 0.81 TPMT (0.59) TPMTHCAR1LCKFYNACLY
SCHEMBL9041324 0.81 TPMT (0.59) TPMTHCAR1LCKFYNACLY
SCHEMBL878654 0.80 SOD1 (0.48) ACLYDDR1PSIP1PTGDR2FABP4
SCHEMBL9040490 0.79 TPMT (0.61) TPMTHCAR1LCKFYNACLY
Diethylamine SCHEMBL9436602 0.79 TPMT (0.47) TPMTHCAR1LCKFYNACLY

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-116969925-B Heteroaryl-triazole compounds BAYER AG (DE) 2026-05-26 CN disclosed
CN-118561817-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-08-30 CN disclosed
CN-118496198-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-08-16 CN disclosed
CN-116969925-A Heteroaryl-triazole compounds 拜耳公司 2023-10-31 CN disclosed
CN-116925043-A Heteroaryl-triazole compounds 拜耳公司 2023-10-24 CN disclosed
EP-4003974-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-06-01 EP disclosed
CN-114502545-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-05-13 CN disclosed