SCHEMBL21609791

SCHEMBL21609791

O=C(O)c1cc([S+]([O-])C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.44
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ SRD5A2 P31213 3/20 0.41
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ MRGPRX4 Q96LA9 2/20 0.37
▸ ALKBH2 Q6NS38 1/20 0.36
▸ ALKBH5 Q6P6C2 1/20 0.36
▸ ALKBH3 Q96Q83 1/20 0.36
▸ FTO Q9C0B1 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.34
▸ P2RX1 P51575 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL28517618 0.85 CES2 (0.43) CES2RXRARXRBRXRGDHODH
SCHEMBL12497062 0.85 CES2 (0.46) CES2RXRARXRBRXRGSRD5A2
SCHEMBL21609830 0.81 NOTUM (0.57) CES2GPR35NOTUMGAAKDM4E
SCHEMBL21610865 0.81 CES2 (0.42) CES2RXRARXRBRXRGSRD5A2
SCHEMBL23977148 0.80 TPMT (0.52) RXRARXRBSRD5A2GPR35KDM4E
SCHEMBL545011 0.78 CES2 (0.62) CES2RXRARXRBRXRGSRD5A2
SCHEMBL503980 0.78 CES2 (0.70) CES2RXRARXRBRXRGSRD5A2
SCHEMBL22456189 0.78 SRD5A2 (0.33) CES2RXRARXRBRXRGSRD5A2
SCHEMBL24017233 0.76 AURKA (0.43) AKR1C2MRGPRX4GAA
Hydrochloric Acid SCHEMBL7485970 0.76 CES2 (0.67) CES2RXRARXRBRXRGSRD5A2

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
EP-3814332-B1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 — — EP disclosed
EP-3814332-B1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 — — EP disclosed
EP-3814332-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-05-05 — — EP disclosed
CN-112351978-A Pesticidally active azole-amide compounds 先正达参股股份有限公司 2021-02-09 — — CN disclosed
WO-2020002563-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-01-02 — — WO disclosed
WO-2020002563-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-01-02 — — WO disclosed
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