SCHEMBL28720396

SCHEMBL28720396

O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CA4 P22748 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA3 P07451 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CA1 P00915 1/20 0.37
GLA P06280 1/20 0.37
CA9 Q16790 1/20 0.37
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
BBOX1 O75936 2/20 0.35
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
ALDH1A1 P00352 4/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL49883 0.97 ESR1 (0.42) ESR1ESR2CA4CA14CA12
SCHEMBL28590369 0.93 ESR1 (0.40) ESR1ESR2CA4CA14CA12
SCHEMBL30499381 0.93 ESR1 (0.40) ESR1ESR2CA4CA14CA12
SCHEMBL8954345 0.93 ESR1 (0.46) ESR1ESR2CA4CA14CA12
Fluoride SCHEMBL11421433 0.93 ESR1 (0.40) ESR1ESR2CA4CA14CA12
SCHEMBL28580119 0.93 ESR1 (0.40) ESR1ESR2CA4CA14CA12
SCHEMBL9581966 0.93 ESR1 (0.40) ESR1ESR2CA4CA14CA12
SCHEMBL231521 0.93 ESR1 (0.40) ESR1ESR2CA4CA14CA12
SCHEMBL28287944 0.93 ESR1 (0.40) ESR1ESR2CA4CA14CA12
SCHEMBL8078146 0.93 ESR1 (0.40) ESR1ESR2CA4CA14CA12

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-114163470-A Platinum catalyst capable of prolonging operation time and preparation method thereof 江西贝特利新材料有限公司 2022-03-11 CN claimed
CN-117229325-A Cyclophosphazene compound containing triphenylsilicon lateral group and preparation method and application thereof 东风汽车集团股份有限公司 2023-12-15 CN disclosed
CN-111511716-B Method for producing sulfonic acid group-containing monomer 旭化成株式会社(JP) 2023-01-13 CN disclosed
CN-114163470-A Platinum catalyst capable of prolonging operation time and preparation method thereof 江西贝特利新材料有限公司 2022-03-11 CN disclosed
CN-114163470-A Platinum catalyst capable of prolonging operation time and preparation method thereof 江西贝特利新材料有限公司 2022-03-11 CN disclosed