SCHEMBL28547847

SCHEMBL28547847

CCC(C=O)CC(C=O)CC(C=O)CC(C=O)CC(C=O)CC(C)C=O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL26173970 0.95 TSHR (0.46) TSHRSMN1; SMN2
SCHEMBL27713771 0.91 TSHR (0.45) TSHRSMN1; SMN2
SCHEMBL27533259 0.90 TSHR (0.33) TSHRSMN1; SMN2
SCHEMBL14942764 0.87 TSHR (0.52) TSHRSMN1; SMN2
SCHEMBL27813599 0.87 TSHR (0.52) TSHRSMN1; SMN2
SCHEMBL1950732 0.84 TSHR (0.55) TSHRSMN1; SMN2
SCHEMBL28129235 0.82 TSHR (0.52) TSHRSMN1; SMN2
SCHEMBL11990708 0.77 TSHR (0.35) TSHRSMN1; SMN2
2-Methylbutanal SCHEMBL15283172 0.77 TSHR (0.48) TSHRSMN1; SMN2
SCHEMBL4634662 0.77

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-109563184-B Modified conjugated diene polymer, rubber composition, and tire 旭化成株式会社 2021-04-09 CN disclosed