SCHEMBL2400601

SCHEMBL2400601

CCC[N+](CC#N)(CC#N)CC#N

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 4/20 0.50
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.35
SLC22A2 O15244 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
SCHEMBL30554996 0.94 SLC22A1 (0.50) SLC22A1ALDH1A1TSHRSLC22A2
SCHEMBL8026840 0.79 SLC22A1 (0.62) SLC22A1ALDH1A1TSHRSLC22A2
SCHEMBL8020779 0.79 SLC22A1 (0.62) SLC22A1ALDH1A1TSHRSLC22A2
SCHEMBL7051423 0.79 SLC22A1 (0.62) SLC22A1ALDH1A1TSHRSLC22A2
SCHEMBL10256317 0.77 ALDH1A1 (0.37) SLC22A1ALDH1A1TSHR
SCHEMBL203211 0.75 TSHR (0.44) ALDH1A1TSHR
Tetrapropylammonium SCHEMBL3886395 0.75 SLC22A1 (0.67) SLC22A1ALDH1A1TSHRSLC22A2
Tetrapropylammonium SCHEMBL28248099 0.73 SLC22A1 (0.91) SLC22A1ALDH1A1TSHRSLC22A2
Tetrapropylammonium SCHEMBL5172423 0.73 SLC22A1 (0.91) SLC22A1ALDH1A1TSHRSLC22A2
Tetrapropylammonium SCHEMBL5716933 0.73 SLC22A1 (0.62) SLC22A1ALDH1A1TSHRSLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140030182-A1 CARBON FILMS PRODUCED FROM IONIC LIQUID CARBON PRECURSORS UT-BATTELLE, LLC (US) 2014-01-30 US disclosed
US-8574534-B2 Carbon films produced from ionic liquid carbon precursors UT-BATTELLE, LLC (US) 2013-11-05 US disclosed
US-8574534-B2 Carbon films produced from ionic liquid carbon precursors UT-BATTELLE, LLC (US) 2013-11-05 US disclosed
US-20110229401-A1 Carbon Films Produced from Ionic Liquid Carbon Precursors UT-BATTELLE, LLC (US) 2011-09-22 US disclosed
EP-0781762-B1 Process for preparing glycine-N,N-diacetic acid derivatives BASF AG (DE) 2004-01-07 EP disclosed
EP-0976818-A1 Use of glycin-N,N-diacetic acid derivatives as biodegradable complexing agents for alkaline earth and heavy metal ions, in compact powder-, ultra compact powder- and liquid-detergentcompositions BASF AKTIENGESELLSCHAFT (DE) 2000-02-02 EP disclosed
US-6008176-A AS TEXTILE DETERGENT BUILDERS IN POWDER DETERGENT FORMULATIONS AND AS CALCIUM SEQUESTRANTS IN ORAL HYGIENE PRODUCTS BASF AKTIENGESELLSCHAFT (DE) 1999-12-28 US disclosed
US-6005141-A ALSO USED AS TEXTILE DETERGENT BUILDERS IN POWDER DETERGENT FORMULATIONS AND AS CALCIUM SEQUESTRANTS IN ORAL HYGIENE PRODUCTS; REACTING 2-SUBSTITUTED GLYCINES OR 2-SUBSTITUTED GLYCINONITRILES WITH FORMALDEHYDE AND HYDROGEN CYANIDE BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed
US-5786313-A ALPHA-ALANINE-N,N-DIACETIC ACID; INDUSTRIAL CLEANING; DISHWASHING BASF AKTIENGESELLSCHAFT (DE) 1998-07-28 US disclosed
EP-0846753-A1 Use of Alanine-N,N-diacetic acid and salts as biodegradable complexing agents as alkaline earth and heavy metal ions in alkali detergent compositions and washing process in drinking and foodstuff industrie BASF AKTIENGESELLSCHAFT (DE) 1998-06-10 EP disclosed
EP-0781762-A1 Process for preparing glycine-N,N-diacetic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 1997-07-02 EP 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-20110229401-A1 Carbon Films Produced from Ionic Liquid Carbon Precursors SCO2, CFB, YBX1 SLC22A1 495/4885ALDH1A1 4535/4885TSHR 4845/4885

“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.