SCHEMBL31443217

SCHEMBL31443217

C=CCOC(=O)CC.CCC(=O)OOC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 8/20 0.37
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NAAA Q02083 1/20 0.34
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 3/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32

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
SCHEMBL194711 0.88
Ethylene SCHEMBL7133194 0.86 TSHR (0.57) TSHRTDP1SMN1; SMN2PKMALDH1A1
Water SCHEMBL28111613 0.86
Hydrochloric Acid SCHEMBL27874012 0.86
Methane SCHEMBL27480384 0.86
Ammonia Solution, Strong SCHEMBL4793964 0.86
Chloromethane SCHEMBL28100228 0.84 TSHR (0.55) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL27379315 0.84 TSHR (0.55) TSHRTDP1SMN1; SMN2PKMALDH1A1
Acetone SCHEMBL28225172 0.84 TSHR (0.55) TSHRTDP1SMN1; SMN2PKMALDH1A1
Propene SCHEMBL27611114 0.84 TSHR (0.55) TSHRTDP1SMN1; SMN2PKMALDH1A1

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-119591771-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2025-03-11 CN claimed
CN-119591771-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2025-03-11 CN disclosed