SCHEMBL9502238

SCHEMBL9502238

C=C(C)C(=O)OCC(C)C.C=C(C)C(=O)OCCC

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.78
THRB P10828 1/20 0.52
ALDH1A1 P00352 5/20 0.40
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
HCAR2 Q8TDS4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL31065018 1.00 TSHR (0.78) TSHRTHRBALDH1A1POLBAPEX1
Hydroxyl Radical SCHEMBL28311885 0.90 TSHR (0.95) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1515061 0.89 TSHR (0.72) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL24562 0.88 TSHR (1.00) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28173403 0.88 TSHR (0.74) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10524306 0.86 TSHR (0.77) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8032342 0.86 TSHR (0.77) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL5012216 0.86 TSHR (0.77) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9082422 0.86 TSHR (0.95) TSHRTHRBALDH1A1POLBAPEX1
Ethylene SCHEMBL27833189 0.86 TSHR (0.95) TSHRTHRBALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237985-B1 IMPROVED SOLVENT DEVELOPABLE PHOTORESIST COMPOSITION AND PROCESS OF USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-09 EP disclosed
US-4716093-A IMPROVED DEVELOPMENT AND STRIPPING E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-12-29 US disclosed
EP-0237985-A2 Improved solvent developable photoresist composition and process of use E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-23 EP disclosed