SCHEMBL3406769

SCHEMBL3406769

C1COC1.OCC(CO)(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.37

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
Oxirane SCHEMBL524300 0.89 ALDH1A1 (0.39) TSHRALDH1A1
Oxirane SCHEMBL1717397 0.89 ALDH1A1 (0.39) TSHRALDH1A1
Tetrahydrofuran SCHEMBL9062179 0.87 ALDH1A1 (0.50) TSHRALDH1A1
SCHEMBL360869 0.82 TSHR (0.33) TSHRALDH1A1
SCHEMBL29012014 0.81 ALDH1A1 (0.44) TSHRALDH1A1
Cyclohexane SCHEMBL7155261 0.81 ALDH1A1 (0.44) TSHRALDH1A1
Fluoride SCHEMBL9562346 0.80 ALDH1A1 (0.50) TSHRALDH1A1
SCHEMBL3406772 0.78 TSHR (0.30) TSHR
SCHEMBL8613971 0.76 ALDH1A1 (0.54) TSHRALDH1A1
SCHEMBL157380 0.76 ALDH1A1 (0.54) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205203-B1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL CECALC (FR) 2013-01-23 EP claimed
US-8258189-B2 Compounds prepared by adding an oxetane derivative to an alcohol CECALC (FR) 2012-09-04 US claimed
CN-101827577-A Novel compounds prepared by adding an oxetane derivative to an alcohol SEPPIC SA 2010-09-08 CN claimed
US-20100216894-A1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL CECALC (FR) 2010-08-26 US claimed
EP-2205203-A1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL Société d'Exploitation de Produits pour les Industries Chimiques SEPPIC (FR) 2010-07-14 EP claimed
WO-2009050405-A1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2009-04-23 WO claimed
US-8258189-B2 Compounds prepared by adding an oxetane derivative to an alcohol CECALC (FR) 2012-09-04 US disclosed
CN-101827577-A Novel compounds prepared by adding an oxetane derivative to an alcohol SEPPIC SA 2010-09-08 CN disclosed
US-20100216894-A1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL CECALC (FR) 2010-08-26 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-20100216894-A1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL ADH1A, ADH5, ADH1C TSHR 4196/4885ALDH1A1 58/4885

“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.