SCHEMBL7862999

SCHEMBL7862999

CCc1c(F)c(F)c(F)c(F)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
HCAR2 Q8TDS4 2/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
DHODH Q02127 1/20 0.35
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ESR1 P03372 1/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL29926635 1.00 SMN1; SMN2 (0.42) SMN1; SMN2PKMHCAR2MEN1KMT2A
SCHEMBL11936748 0.89 SMN1; SMN2 (0.41) SMN1; SMN2PKMHCAR2MEN1KMT2A
SCHEMBL10981379 0.88 SMN1; SMN2 (0.39) SMN1; SMN2PKMHCAR2MEN1KMT2A
SCHEMBL22408578 0.84 SMN1; SMN2 (0.38) SMN1; SMN2PKMHCAR2MEN1KMT2A
SCHEMBL7855502 0.83 LDHA (0.41) SMN1; SMN2PKMHCAR2MEN1KMT2A
SCHEMBL8111635 0.82 PKM (0.38) SMN1; SMN2PKMHTTRECQLCES2
SCHEMBL5589408 0.81 LDHA (0.37) SMN1; SMN2PKMHCAR2DHODHESR1
SCHEMBL4636359 0.79 PKM (0.34) SMN1; SMN2PKMHCAR2HTT
SCHEMBL29927198 0.79 HCAR2 (0.47) SMN1; SMN2PKMHCAR2MEN1KMT2A
SCHEMBL7855513 0.79 HCAR2 (0.47) SMN1; SMN2PKMHCAR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115259996-A Synthetic method of transfluthrin intermediate 浙江中欣氟材股份有限公司 2022-11-01 CN claimed
CN-115259996-A Synthetic method of transfluthrin intermediate 浙江中欣氟材股份有限公司 2022-11-01 CN disclosed
CN-115259996-A Synthetic method of transfluthrin intermediate 浙江中欣氟材股份有限公司 2022-11-01 CN disclosed
US-6333431-B1 ALKYLATING TETRAFLUOROBENZOIC ACID OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US disclosed
EP-1114812-A1 PROCESSES FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-07-11 EP disclosed
US-5744628-A Process for the preparation of esters of aromatic carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed