SCHEMBL3457899

SCHEMBL3457899

O=S(=O)(c1ccc(C(F)F)cc1)c1ccc(C(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 2/20 0.46
HTR6 P50406 2/20 0.46
MAPK1 P28482 1/20 0.46
MPO P05164 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
PKM P14618 2/20 0.41
TRPV4 Q9HBA0 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
POLB P06746 1/20 0.35

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
SCHEMBL11698441 0.82 F2 (0.43) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL30003292 0.80 CA2 (0.54) ALDH1A1TSHR
SCHEMBL17463073 0.80 TRPV4 (0.52) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL17289163 0.80 ENPP2 (0.50) LMNACYP3A4MEN1KMT2A
SCHEMBL28020890 0.77 PSIP1 (0.52) ALDH1A1GAACYP3A4CYP2C9TRPV4
SCHEMBL662302 0.76 PGK1 (0.38) TRPV4
SCHEMBL11694056 0.75 TRPV4 (0.35) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL11850699 0.74 LMNA (0.70) ALDH1A1MAPTLMNAGAAKDM4E
Bromide SCHEMBL9813321 0.73 NOTUM (0.37) TRPV4
SCHEMBL21886251 0.72 NPSR1 (0.49) ALDH1A1MAPTLMNAGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024139562-A1 PARTIALLY-DILUTED HIGH-CONCENTRATION ELECTROLYTE, PREPARATION METHOD THEREFOR, AND LITHIUM METAL BATTERY 北京恩力动力技术有限公司 2024-07-04 WO claimed
WO-2024139562-A1 PARTIALLY-DILUTED HIGH-CONCENTRATION ELECTROLYTE, PREPARATION METHOD THEREFOR, AND LITHIUM METAL BATTERY 北京恩力动力技术有限公司 2024-07-04 WO disclosed
CN-117379452-A Substituted nucleosides, nucleotides and analogues thereof 艾丽奥斯生物制药有限公司 2024-01-12 CN disclosed
CN-112174960-B Toll-like receptor modulating 4, 6-diamino-pyrido [3,2-D ] pyrimidine compounds 吉利德科学公司 2023-10-10 CN disclosed
WO-2010147234-A1 DIARYLAMIDE-SPIRODIAMINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-12-23 WO disclosed
US-5175302-A Nucleophilic fluoroalkylation of aldehydes ETHYL CORPORATION (US) 1992-12-29 US disclosed
US-4999429-A Process for the preparation of α,α,β-1-trifluoro-1-olefinic derivatives ETHYL CORPORATION (US) 1991-03-12 US disclosed
US-4837327-A Process for nucleophilic fluoroalkylation of aldehydes ETHYL CORPORATION (US) 1989-06-06 US disclosed