SCHEMBL22609166

SCHEMBL22609166

C=CN(CCNCCC[Si](C)(OCC)OCC)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.36
REN P00797 2/20 0.36
SIGMAR1 Q99720 4/20 0.36
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TMEM97 Q5BJF2 1/20 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
SCHEMBL5171733 0.89 KCNH2 (0.37) KCNH2RENSIGMAR1GAAALDH1A1
SCHEMBL959977 0.89 KCNH2 (0.39) KCNH2RENSIGMAR1GAAALDH1A1
Hydrochloric Acid SCHEMBL2678846 0.88 KCNH2 (0.36) KCNH2RENSIGMAR1GAAALDH1A1
SCHEMBL963172 0.88 GAA (0.35) SIGMAR1GAAALDH1A1NPSR1
SCHEMBL145173 0.83 ALDH1A1 (0.40) KCNH2RENSIGMAR1GAAALDH1A1
Hydrochloric Acid SCHEMBL525155 0.82 ALDH1A1 (0.40) KCNH2RENSIGMAR1GAAALDH1A1
Hydrochloric Acid SCHEMBL5894235 0.82 ALDH1A1 (0.40) KCNH2RENSIGMAR1GAAALDH1A1
Hydrochloric Acid SCHEMBL9064046 0.81 NPSR1 (0.39) KCNH2RENSIGMAR1GAAALDH1A1
Heptane SCHEMBL28128730 0.81 SIGMAR1 (0.41) KCNH2RENSIGMAR1ALDH1A1NPSR1
SCHEMBL896937 0.80 GAA (0.43) KCNH2RENSIGMAR1GAAALDH1A1

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
EP-3733929-B1 METALLIC MATERIAL SURFACE TREATMENT AGENT, AND METHOD OF MANUFACTURING A METALLIC MATERIAL HAVING A SURFACE TREATMENT COATING NIHON PARKERIZING (JP) 2024-12-04 EP disclosed
US-11603592-B2 Metallic material surface treatment agent, metallic material having surface treatment coating, and manufacturing method therefor NIHON PARKERIZING CO., LTD. (JP) 2023-03-14 US disclosed
US-20200362461-A1 Metallic Material Surface Treatment Agent, Metallic Material Having Surface Treatment Coating, and Manufacturing Method Therefor NIHON PARKERIZING CO., LTD. (JP) 2020-11-19 US disclosed
EP-3733929-A1 METALLIC MATERIAL SURFACE TREATMENT AGENT, METALLIC MATERIAL HAVING SURFACE TREATMENT COATING, AND MANUFACTURING METHOD THEREFOR Nihon Parkerizing Co., Ltd. (JP) 2020-11-04 EP disclosed
CN-111511963-A Surface treatment agent for metal material, metal material having surface treatment film, and method for producing same 日本帕卡濑精株式会社 2020-08-07 CN disclosed