SCHEMBL31529633

SCHEMBL31529633

NCC(=O)c1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.61
CES1 P23141 3/20 0.61
ACKR3 P25106 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
KEAP1 Q14145 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL19104747 1.00 CES2 (0.61) CES2CES1ACKR3L3MBTL1KEAP1
Hydrochloric Acid SCHEMBL19817282 0.98 CES2 (0.59) CES2CES1ACKR3L3MBTL1HTT
Hydrochloric Acid SCHEMBL30444188 0.98 CES2 (0.59) CES2CES1ACKR3L3MBTL1HTT
SCHEMBL15435529 0.84 CES2 (0.61) CES2CES1KEAP1
SCHEMBL28524236 0.82 MAPT (0.41) CES2CES1ACKR3GAA
Hydrochloric Acid SCHEMBL17102130 0.82 CES2 (0.59) CES2CES1KEAP1
SCHEMBL8584 0.82 CES2 (0.63) CES2CES1ACKR3L3MBTL1RAB9A
SCHEMBL5955284 0.81 LOXL2 (0.48) CES2CES1HTTRAB9A
SCHEMBL2617372 0.81 DGAT1 (0.65) CES2CES1GAARAB9A
SCHEMBL14535151 0.81 CES2 (0.38) CES2CES1ACKR3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119681491-A Water-washing type tin-bismuth low Wen Xigao for aluminum welding and preparation method thereof 云南锡业新材料有限公司 2025-03-25 CN claimed
CN-119681491-A Water-washing type tin-bismuth low Wen Xigao for aluminum welding and preparation method thereof 云南锡业新材料有限公司 2025-03-25 CN disclosed