SCHEMBL30858680

SCHEMBL30858680

NC(=O)C=CCOCCOCC=CC(N)=O

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
TP53 P04637 2/20 0.30
TSHR P16473 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3980522 0.90 TSHR (0.32) ALDH1A1TSHR
SCHEMBL21160000 0.87 MAPT (0.36) ALDH1A1TP53HSD17B10
SCHEMBL28206555 0.87 MAPT (0.36) ALDH1A1TP53HSD17B10
SCHEMBL10947653 0.83 ATM (0.44) ALDH1A1TP53TSHR
SCHEMBL2774564 0.81
SCHEMBL16368605 0.81
SCHEMBL18397675 0.78 ALDH1A1 (0.33) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL8649318 0.76 MAP3K7 (0.38) ALDH1A1TSHR
SCHEMBL30230847 0.76 TSHR (0.37) TSHR
SCHEMBL18294835 0.76 MAP3K7 (0.38) ALDH1A1TSHR

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
CN-117943055-A Hydrolytic filler and preparation method and application thereof 中国石油化工股份有限公司 2024-04-30 CN claimed
CN-117920341-A Modified hydrolytic filler, preparation method and application thereof, and preparation method of formaldehyde-formic acid aqueous solution 中国石油化工股份有限公司 2024-04-26 CN claimed
CN-117943055-A Hydrolytic filler and preparation method and application thereof 中国石油化工股份有限公司 2024-04-30 CN disclosed