SCHEMBL29280204

SCHEMBL29280204

CC(CC(CO)CO)C(O)CCO

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL535650 0.81
SCHEMBL12895824 0.81
SCHEMBL560827 0.78 THRB (0.38) THRBTDP1TSHRALDH1A1
SCHEMBL27668706 0.75 THRB (0.32) THRBTDP1
SCHEMBL2300150 0.74
SCHEMBL9817094 0.73 THRB (0.36) THRBTDP1TSHRLMNA
SCHEMBL29184145 0.73 THRB (0.38) THRBTDP1TSHRALDH1A1
SCHEMBL14764023 0.72
SCHEMBL6065451 0.72 THRB (0.39) THRBTDP1TSHRLMNA
SCHEMBL2301800 0.72 TSHR (0.42) THRBTDP1TSHRLMNAALDH1A1

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-115650827-B Preparation method, intermediate compound and synthesis method for anthracycline derivatives 戊言医药科技(上海)有限公司 2024-03-15 CN claimed