SCHEMBL25307136

SCHEMBL25307136

O=C(O)C(F)(F)c1cscc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
DAO P14920 1/20 0.35
GRB2 P62993 1/20 0.33
ASPH Q12797 1/20 0.32
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
CES2 O00748 2/20 0.31
GAA P10253 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL22733877 0.78 GLA (0.31) GAA
SCHEMBL31078249 0.75 RXRA (0.33) DAO
SCHEMBL3912277 0.74 ASPH (0.43) ALDH1A1HPGDDAOASPHCES2
SCHEMBL17420697 0.71 ALDH1A1 (0.49) ALDH1A1HPGDCTNNB1WNT3AGAA
SCHEMBL13898648 0.68 KIF11 (0.35) ALDH1A1DAOASPHCES2GAA
SCHEMBL22775111 0.67 USP2 (0.44) ALDH1A1HPGDGRB2
SCHEMBL13199346 0.67 CES1 (0.46) ALDH1A1HPGDDAOGRB2GAA
SCHEMBL30628244 0.65 MRGPRX4 (0.40) ALDH1A1HPGDDAOCES2HDAC6
SCHEMBL25308960 0.65 CTNNB1 (0.38) ALDH1A1HPGDDAOGRB2CTNNB1
SCHEMBL25308317 0.64 TDP1 (0.32)

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
CN-118647270-A Novel derivatives of non-coding amino acids and their use as herbicides 福提费斯特有限公司 2024-09-13 CN claimed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO claimed
CN-118647270-A Novel derivatives of non-coding amino acids and their use as herbicides 福提费斯特有限公司 2024-09-13 CN disclosed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO disclosed