SCHEMBL8823441

SCHEMBL8823441

CCCCCC1OC1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNTT P04053 1/20 0.42
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSK P43235 2/20 0.37
LGALS3 P17931 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
SPHK1 Q9NYA1 3/20 0.37
POLB P06746 1/20 0.36
FASN P49327 1/20 0.36
EPHX1 P07099 1/20 0.36
POLA1 P09884 1/20 0.35
GRM2 Q14416 1/20 0.35
SPHK2 Q9NRA0 2/20 0.34

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
SCHEMBL28638945 0.98 DNTT (0.44) DNTTTSHRHTTSMN1; SMN2CTSK
SCHEMBL1090911 0.98 DNTT (0.44) DNTTTSHRHTTSMN1; SMN2CTSK
SCHEMBL9690196 0.98 DNTT (0.44) DNTTTSHRHTTSMN1; SMN2CTSK
SCHEMBL1002560 0.89 TERT (0.42) POLB
SCHEMBL13046121 0.86 LGALS3 (0.40) DNTTLGALS3POLB
SCHEMBL9130184 0.86 LGALS3 (0.40) DNTTLGALS3POLB
SCHEMBL9133924 0.82 ALDH1A1 (0.43) TSHRSPHK1POLBFASNSPHK2
SCHEMBL8823428 0.82 ALDH1A1 (0.43) TSHRSPHK1POLBFASNSPHK2
SCHEMBL11396662 0.81 NAAA (0.46) TSHRSPHK1EPHX1SPHK2
SCHEMBL1332659 0.81 NAAA (0.46) TSHRSPHK1EPHX1SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588610-A Method for preparing melonal 山东新和成药业有限公司 2017-04-26 CN claimed
US-5603818-A PHOSPHATING WITH AQUEOUS METAL PHOSPHATING SOLUTION, ELECTROPHORETICALLY DEPOSITING FIRST FILM OF SICCATIVE ORGANIC COATING, NON-ELECTROPHORETICALLY APPLYING SECOND FILM AS SEAL COAT, CURING MAN-GILL CHEMICAL COMPANY (US) 1997-02-18 US disclosed
US-5385655-A Phosphating metal parts, erlectrophoretically depositing film of siccative organic coating, applying second film, curing coatings, applying top seal coat MAN-GILL CHEMICAL COMPANY (US) 1995-01-31 US disclosed
EP-0266342-A1 WATER-BASED METAL-CONTAINING ORGANIC PHOSPHATE COMPOSITIONS The Lubrizol Corporation (US) 1988-05-11 EP disclosed
WO-1987003898-A1 WATER-BASED METAL-CONTAINING ORGANIC PHOSPHATE COMPOSITIONS THE LUBRIZOL CORPORATION (US) 1987-07-02 WO disclosed
US-4656097-A ADHESION, CORROSION RESISTANCE PPG INDUSTRIES OHIO, INC. 1987-04-07 US disclosed
US-4650526-A CORROSION RESISTANCE MAN-GILL CHEMICAL COMPANY (US) 1987-03-17 US disclosed
US-4615813-A DRILLING FLUIDS THE LUBRIZOL CORPORATION (US) 1986-10-07 US disclosed
US-4582543-A WITH AN OVERBASED COMPOUND-CORROSION INHIBITING COATING THE LUBRIZOL CORPORATION (US) 1986-04-15 US disclosed
US-4165242-A Treatment of metal parts to provide rust-inhibiting coatings by phosphating and electrophoretically depositing a siccative organic coating R. O. HULL & COMPANY, INC. (US) 1979-08-21 US disclosed