SCHEMBL6840159

SCHEMBL6840159

CC(C)COP(C)OCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL12125076 0.85
SCHEMBL9651022 0.80
SCHEMBL8971333 0.79
SCHEMBL269160 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11204886 0.75
SCHEMBL10948199 0.75
SCHEMBL6840160 0.75
SCHEMBL30421016 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8650693 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL25955537 0.73

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714206-B2 Methyl-iodide-free carbonylation of an alcohol to its homologous aldehyde and/or alcohol EASTMAN CHEMICAL COMPANY (US) 2017-07-25 US claimed
US-20160185701-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL EASTMAN CHEMICAL COMPANY (US) 2016-06-30 US claimed
US-6770779-B1 ALKYLATION OF YELLOW PHOSPHORUS WITH ALKYLATING IN BASE TO FORM METAL SALT OF ALKYLPHOSPHONOUS, PHOSPHOROUS AND HYPOPHOSPHOROUS ACIDS; ESTERIFICATION CLARIANT GMBH (DE) 2004-08-03 US claimed
EP-1055679-B1 Process for the preparation of alkylphosphonous acid esters CLARIANT GMBH (DE) 2003-08-06 EP claimed
EP-1055676-B1 Process for the preparation of dialkylphosphinic acids and their salts CLARIANT GMBH (DE) 2003-08-06 EP claimed
EP-1055677-B1 Process for the preparation of phosphinic acid esters CLARIANT GMBH (DE) 2003-03-05 EP claimed
US-6359171-B1 ALKYLATION PHOSPHORUS; ESTERIFICATION CLARIANT GMBH (DE) 2002-03-19 US claimed
US-6278012-B1 REACTING ELEMENTAL YELLOW PHOSPHORUS WITH ALKYLATING AGENTS IN PRESENCE OF A BASE TO GIVE A MIXTURE COMPRISING ALKYLPHOSPHONOUS, PHOSPHOROUS AND HYPOPHOSPHOROUS ACIDS; ESTERIFICATION; ISOLATING AND ADDING TO OLEFIN COMPOUND CLARIANT GMBH (DE) 2001-08-21 US claimed
CN-110283201-B System and method for preparing methyl phosphite ester by adopting throwing disc reaction kettle 浙江新安化工集团股份有限公司 2023-09-19 CN disclosed
CN-115141226-B Preparation method of 3- (methyl alkoxy phosphoryl) propionate 浙江新安化工集团股份有限公司 2023-06-13 CN disclosed
CN-113004325-B Method for tubular continuous synthesis of (3-acetoxy-3-cyanopropyl) -methylphosphinic acid alkyl ester 浙江新安化工集团股份有限公司 2023-03-17 CN disclosed
CN-113004325-A Method for tubular continuous synthesis of (3-acetoxy-3-cyanopropyl) -methyl alkyl phosphinate 浙江新安化工集团股份有限公司 2021-06-22 CN disclosed
US-9714206-B2 Methyl-iodide-free carbonylation of an alcohol to its homologous aldehyde and/or alcohol EASTMAN CHEMICAL COMPANY (US) 2017-07-25 US disclosed
US-20160185701-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL EASTMAN CHEMICAL COMPANY (US) 2016-06-30 US disclosed
US-5461040-A Therapy of spinal spacticity, multiple sclerosis, cerebral palsy, trigeminus neuralgia, drug withdrawal, pain CIBA-GEIGY CORPORATION (US) 1995-10-24 US disclosed
EP-0399949-B1 Substituted aminoalkylphosphinic acids CIBA GEIGY AG (CH) 1995-04-12 EP disclosed
US-5281747-A Pharmaceuticals CIBA-GEIGY CORPORATION (US) 1994-01-25 US disclosed
US-5128495-A PROCESS FOR THE PREPARATION OF ALKYLPHOSPHONOUS ACID DIESTERS AND/OR DIALKYLPHOSPHINOUS ACID ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-07 US disclosed
EP-0399949-A1 Substituted aminoalkylphosphinic acids CIBA-GEIGY AG (CH) 1990-11-28 EP disclosed
US-4384966-A FRICTION AND WEAR RESISTANCE ADDITIVES FOR LUBRICANTS, FIREPROOFING POLYMERS CIBA-GEIGY CORPORATION (US) 1983-05-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160185701-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL ADH1C, ADH5, ADH1A ALDH1A1 42/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.