SCHEMBL28958417

SCHEMBL28958417

O=S(=O)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.37
CA2 P00918 8/20 0.37
PARL Q9H300 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD11B1 P28845 1/20 0.35
NR1H2 P55055 3/20 0.35
NR1I2 O75469 1/20 0.35
HTR6 P50406 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
APOBEC3G Q9HC16 1/20 0.33
NR1H3 Q13133 2/20 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
SCHEMBL29222660 1.00 CA1 (0.37) CA1CA2PARLTDP1HSD11B1
SCHEMBL28598276 1.00 CA1 (0.37) CA1CA2PARLTDP1HSD11B1
SCHEMBL28939118 1.00 CA1 (0.37) CA1CA2PARLTDP1HSD11B1
SCHEMBL29069915 0.98 CA1 (0.38) CA1CA2PARLTDP1HSD11B1
SCHEMBL28773292 0.98 CA1 (0.38) CA1CA2PARLTDP1HSD11B1
Ammonia Solution, Strong SCHEMBL29155292 0.97 CA1 (0.37) CA1CA2PARLTDP1HSD11B1
SCHEMBL4126851 0.96 TDP1 (0.37) CA1CA2PARLTDP1HSD11B1
SCHEMBL28452982 0.95 TDP1 (0.36) CA1CA2PARLTDP1HSD11B1
SCHEMBL4127254 0.91 HTR6 (0.38) CA1CA2PARLTDP1HSD11B1
SCHEMBL4132885 0.83 HTR6 (0.41) CA1CA2PARLTDP1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027935-A Multifunctional nano viscosity-reducing blocking remover for thick oil, preparation method and application thereof 中国石油集团渤海钻探工程有限公司 2024-05-14 CN claimed
CN-117510963-A Polyether polyol microemulsion, preparation method and application thereof 浙江诺亚氟化工有限公司 2024-02-06 CN claimed
CN-115584505-A Stainless steel chemical polishing agent, preparation method and application 湖南金裕环保科技有限公司 2023-01-10 CN claimed
CN-118027935-A Multifunctional nano viscosity-reducing blocking remover for thick oil, preparation method and application thereof 中国石油集团渤海钻探工程有限公司 2024-05-14 CN disclosed
CN-115584505-A Stainless steel chemical polishing agent, preparation method and application 湖南金裕环保科技有限公司 2023-01-10 CN disclosed