SCHEMBL10909450

SCHEMBL10909450

C=C(C)C(=O)OCCOCC(OC)OC(=O)C(=C)C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
TSHR P16473 4/20 0.44
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10940763 0.98 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6524977 0.87 THRB (0.54) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL8845054 0.86 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL6524832 0.86 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL219932 0.86 THRB (0.38) THRBTSHRALDH1A1HTT
SCHEMBL272813 0.86 THRB (0.38) THRBTSHRALDH1A1HTT
Ethylene SCHEMBL8845041 0.86 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL11504618 0.86 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL213461 0.85 TSHR (0.38) THRBTSHRALDH1A1
SCHEMBL8005857 0.84 TSHR (0.57) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4571382-A Process for determining tumor-associated glycolinkage and method for diagnosis of cancer OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-02-18 US claimed
US-20240209168-A1 MONOMER COMPOSITION, MOLDED BODY, BONDED MAGNET, DUST CORE RESONAC CORPORATION (JP) 2024-06-27 US disclosed
WO-2022224309-A1 MONOMER COMPOSITION, MOLDED BODY, BONDED MAGNET, DUST CORE 昭和電工マテリアルズ株式会社 2022-10-27 WO disclosed
US-4571382-A Process for determining tumor-associated glycolinkage and method for diagnosis of cancer OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-02-18 US disclosed
US-4552633-A Fine particulate for use in clinical testing and a process for producing thereof JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1985-11-12 US disclosed
US-4455380-A Process for determining tumor-associated glycolinkage OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-19 US disclosed
US-4177107-A Process for producing composition containing insolubilized enzyme and/or insolubilized bacterial cells JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1979-12-04 US disclosed