SCHEMBL8616121

SCHEMBL8616121

CCCCOC(O)(COCC)OCC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL9638125 0.96 TSHR (0.38) TSHRCES1ALDH1A1ADRB2ADRB1
SCHEMBL11792366 0.88 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL7066435 0.85 CES1 (0.47) TSHRCES1ALDH1A1ADRB2ADRB1
SCHEMBL7179939 0.85 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL6759981 0.83 CES1 (0.46) TSHRCES1ALDH1A1ADRB2ADRB1
SCHEMBL6887437 0.83 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL3117799 0.81 TSHR (0.34) TSHRCES1ALDH1A1ADRB2ADRB1
SCHEMBL9637020 0.80 TSHR (0.56) TSHRCES1ALDH1A1
SCHEMBL27679774 0.79 CES1 (0.35) CES1
SCHEMBL30366247 0.77 TSHR (0.57) TSHRCES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822238-B2 Compositions comprising tetrahydrofurfuryl and alkoxylated alkyl esters as plasticisers for biodegradable resins PROVIRON HOLDING N.V. (BE) 2017-11-21 US claimed
US-20160319101-A1 COMPOSITIONS COMPRISING TETRAHYDROFURFURYL AND ALKOXYLATED ALKYL ESTERS AS PLASTICISERS FOR BIODEGRADABLE RESINS PROVIRON HOLDING N.V. (BE) 2016-11-03 US claimed
EP-3083806-A1 COMPOSITIONS COMPRISING TETRAHYDROFURFURYL AND ALKOXYLATED ALKYL ESTERS AS PLASTICISERS FOR BIODEGRADABLE RESINS Proviron Holding N.V. (BE) 2016-10-26 EP claimed
WO-2015090620-A1 COMPOSITIONS COMPRISING TETRAHYDROFURFURYL AND ALKOXYLATED ALKYL ESTERS AS PLASTICISERS FOR BIODEGRADABLE RESINS PROVIRON HOLDING N.V. (BE) 2015-06-25 WO claimed
EP-0525880-B1 Catalytic alkylation process FMC CORP (US) 1998-05-06 EP claimed
US-5332853-A Alkylating tetrachlorosilane or an alkylchlorosilane with an alkyllithium using ether, metal alkoxide, amine, or metal amide as catalyst FMC CORPORATION (US) 1994-07-26 US claimed
US-9822238-B2 Compositions comprising tetrahydrofurfuryl and alkoxylated alkyl esters as plasticisers for biodegradable resins PROVIRON HOLDING N.V. (BE) 2017-11-21 US disclosed
US-20160319101-A1 COMPOSITIONS COMPRISING TETRAHYDROFURFURYL AND ALKOXYLATED ALKYL ESTERS AS PLASTICISERS FOR BIODEGRADABLE RESINS PROVIRON HOLDING N.V. (BE) 2016-11-03 US disclosed
EP-3083806-A1 COMPOSITIONS COMPRISING TETRAHYDROFURFURYL AND ALKOXYLATED ALKYL ESTERS AS PLASTICISERS FOR BIODEGRADABLE RESINS Proviron Holding N.V. (BE) 2016-10-26 EP disclosed
WO-2015090620-A1 COMPOSITIONS COMPRISING TETRAHYDROFURFURYL AND ALKOXYLATED ALKYL ESTERS AS PLASTICISERS FOR BIODEGRADABLE RESINS PROVIRON HOLDING N.V. (BE) 2015-06-25 WO disclosed
EP-0525880-B1 Catalytic alkylation process FMC CORP (US) 1998-05-06 EP disclosed
US-4061612-A Low temperature plasticizers for specialty rubbers consisting of diesters of dicarboxylic acids with hexyloxyethoxyethanol or butoxyethoxyethoxyethanol THIOKOL CORPORATION (US) 1977-12-06 US disclosed
US-4061612-A Low temperature plasticizers for specialty rubbers consisting of diesters of dicarboxylic acids with hexyloxyethoxyethanol or butoxyethoxyethoxyethanol THIOKOL CORPORATION (US) 1977-12-06 US disclosed
US-4061612-A Low temperature plasticizers for specialty rubbers consisting of diesters of dicarboxylic acids with hexyloxyethoxyethanol or butoxyethoxyethoxyethanol THIOKOL CORPORATION (US) 1977-12-06 US disclosed
US-3951977-A MINERAL OIL SOLUBLE, ANTIWEAR, ANTIRUST, DISPERSION DETERGENT ADDITIVES STANDARD OIL COMPANY (US) 1976-04-20 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-20160319101-A1 COMPOSITIONS COMPRISING TETRAHYDROFURFURYL AND ALKOXYLATED ALKYL ESTERS AS PLASTICISERS FOR BIODEGRADABLE RESINS ALKBH3, FTO, ALKBH5 TSHR 4443/4885CES1 1087/4885ALDH1A1 455/4885

“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.