SCHEMBL29012829

SCHEMBL29012829

C=C(CCO)C(=O)OCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5605430 0.83 TSHR (0.63) TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL8015066 0.82 TSHR (0.57) TSHRALDH1A1KDM4EPOLBGAA
SCHEMBL9809116 0.81 TSHR (0.55) TSHRALDH1A1KDM4E
SCHEMBL27646476 0.81 TSHR (0.55) TSHRALDH1A1POLBGAASMN1; SMN2
SCHEMBL1060689 0.80 TSHR (0.59) TSHRALDH1A1KDM4EPOLBGAA
SCHEMBL8577467 0.79 TSHR (0.53) TSHRALDH1A1KDM4E
SCHEMBL28396873 0.79 TSHR (0.53) TSHRALDH1A1SMN1; SMN2
SCHEMBL5089974 0.79 TSHR (0.63) TSHRALDH1A1SMN1; SMN2
SCHEMBL1473219 0.79 TSHR (0.63) TSHRALDH1A1SMN1; SMN2
SCHEMBL23501478 0.78 KDM4E (0.42) TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116209699-A Polyacetal-based releasable compositions 德路工业胶粘剂有限两合公司 2023-06-02 CN claimed
CN-116209699-A Polyacetal-based releasable compositions 德路工业胶粘剂有限两合公司 2023-06-02 CN disclosed