SCHEMBL28804268

SCHEMBL28804268

C=CCOCOC(=O)C(CC)(CCCC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
HPGD P15428 1/20 0.34

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
SCHEMBL28804166 0.90 TSHR (0.46) TSHRCYP4F2CYP4A11HPGD
SCHEMBL11482882 0.83 THRB (0.35) TSHRCYP4F2CYP4A11
SCHEMBL28804206 0.81 TSHR (0.36) TSHRCYP4F2CYP4A11
SCHEMBL8763640 0.78 TSHR (0.54) TSHRCYP4F2CYP4A11HPGD
SCHEMBL27681347 0.75 CYP4F2 (0.54) TSHRCYP4F2CYP4A11HPGD
SCHEMBL29149655 0.73 CYP4F2 (0.50) TSHRCYP4F2CYP4A11HPGD
SCHEMBL28804170 0.72 SMN1; SMN2 (0.45) TSHRCYP4F2CYP4A11
Ethylene SCHEMBL7768835 0.72 CYP4F2 (0.53) TSHRCYP4F2CYP4A11HPGD
SCHEMBL28004284 0.71 TSHR (0.49) TSHRCYP4F2CYP4A11HPGD
SCHEMBL5557393 0.71 CYP4F2 (0.72) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349919-B Polyfunctional epoxy compound and curable composition containing the same 日产化学工业株式会社 2022-06-03 CN disclosed