SCHEMBL900552

SCHEMBL900552

[CH2]c1c(F)cccc1SC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE2A O00408 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1958637 0.78 ALDH1A1 (0.39) ALOX5APFEN1ALDH1A1PKMHPGD
SCHEMBL900553 0.75 ACHE (0.34) ALOX5APFEN1ALDH1A1PKMHPGD
SCHEMBL900416 0.75 ALDH1A1 (0.32) ALDH1A1PKMHPGDHTTL3MBTL1
SCHEMBL900140 0.75 TAAR1 (0.32) ALOX5APFEN1
SCHEMBL476655 0.71 ALDH1A1 (0.38) ALOX5APFEN1ALDH1A1PKMHPGD
SCHEMBL131867 0.71
SCHEMBL900168 0.71 KDM4E (0.30) ALDH1A1KDM4ETDP1
SCHEMBL900692 0.70 TAAR1 (0.32)
SCHEMBL2783365 0.68 ALDH1A1 (0.33) ALOX5APFEN1ALDH1A1PKMHPGD
SCHEMBL900723 0.67 ALDH1A1 (0.31) ALDH1A1PKMHPGDHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed