SCHEMBL28347495

SCHEMBL28347495

O=C1CC(c2ccccc2)C(=O)OCCCCO1.O=C1CCC(=O)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.41
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 4/20 0.37
ALDH2 P05091 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTRB1 P17538 1/20 0.36
CYP19A1 P11511 1/20 0.36
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL29851186 0.94 CTRC (0.45) CTRCCA1CA9TSHRKMT2A
SCHEMBL576404 0.77 TP53 (0.41) CTRCTSHRKMT2ACTRB1CYP19A1
SCHEMBL576991 0.75 TP53 (0.42) CTRCTSHRKMT2AGAACTRB1
SCHEMBL14159692 0.72 CTRC (0.43) CTRCTSHRKMT2AALDH1A1ALDH2
SCHEMBL576832 0.71 CTRC (0.61) CTRCTSHRKMT2AALDH1A1ALDH2
Alpha-Phenyl-Gamma-Butyrolactone SCHEMBL576473 0.71 CYP19A1 (0.44) CTRCTSHRKMT2ACTRB1CYP19A1
SCHEMBL8274960 0.71 CTRC (0.61) CTRCTSHRKMT2AALDH1A1ALDH2
Alpha-Phenyl-Gamma-Butyrolactone SCHEMBL7909086 0.71 CYP19A1 (0.44) CTRCTSHRKMT2ACTRB1CYP19A1
Alpha-Phenyl-Gamma-Butyrolactone SCHEMBL6771142 0.71 CYP19A1 (0.44) CTRCTSHRKMT2ACTRB1CYP19A1
SCHEMBL28347500 0.70 CA1 (0.48) CA1CA9TSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110577698-B Special halogen-free flame-retardant synergistic functional master batch for modifying polyester engineering plastics and preparation method thereof 江苏万纳普新材料科技有限公司 2023-04-07 CN claimed
CN-110669281-B Special flame-retardant synergistic functional master batch for modifying polycarbonate and alloy thereof and preparation method thereof 江苏万纳普新材料科技有限公司 2022-08-19 CN claimed
CN-109486133-B Efficient enhanced flame-retardant heat-conducting shading multifunctional master batch for direct injection molding of PBT (polybutylene terephthalate) and preparation method thereof 江苏万纳普新材料科技有限公司 2021-03-23 CN claimed
CN-109486132-B Efficient enhanced halogen-free flame-retardant heat-conducting shading multifunctional master batch for direct injection molding of PBT (polybutylene terephthalate) and preparation method thereof 江苏万纳普新材料科技有限公司 2021-03-23 CN claimed
CN-109486131-B Efficient enhanced flame-retardant functional master batch for direct injection molding of PBT (polybutylene terephthalate) and preparation method thereof 江苏万纳普新材料科技有限公司 2021-03-23 CN claimed
CN-109370175-B Efficient enhanced halogen-free flame-retardant functional master batch for direct injection molding of PBT (polybutylene terephthalate) and preparation method thereof 江苏万纳普新材料科技有限公司 2021-03-23 CN claimed
CN-110669281-A Special flame-retardant synergistic functional master batch for modifying polycarbonate and alloy thereof and preparation method thereof 江苏万纳普新材料科技有限公司 2020-01-10 CN claimed
CN-110577698-A special halogen-free flame-retardant synergistic functional master batch for PBT resin modification and preparation method thereof 江苏万纳普新材料科技有限公司 2019-12-17 CN claimed
CN-110577698-B Special halogen-free flame-retardant synergistic functional master batch for modifying polyester engineering plastics and preparation method thereof 江苏万纳普新材料科技有限公司 2023-04-07 CN disclosed
CN-110669281-B Special flame-retardant synergistic functional master batch for modifying polycarbonate and alloy thereof and preparation method thereof 江苏万纳普新材料科技有限公司 2022-08-19 CN disclosed
CN-109486133-B Efficient enhanced flame-retardant heat-conducting shading multifunctional master batch for direct injection molding of PBT (polybutylene terephthalate) and preparation method thereof 江苏万纳普新材料科技有限公司 2021-03-23 CN disclosed
CN-109486132-B Efficient enhanced halogen-free flame-retardant heat-conducting shading multifunctional master batch for direct injection molding of PBT (polybutylene terephthalate) and preparation method thereof 江苏万纳普新材料科技有限公司 2021-03-23 CN disclosed
CN-109486131-B Efficient enhanced flame-retardant functional master batch for direct injection molding of PBT (polybutylene terephthalate) and preparation method thereof 江苏万纳普新材料科技有限公司 2021-03-23 CN disclosed
CN-109370175-B Efficient enhanced halogen-free flame-retardant functional master batch for direct injection molding of PBT (polybutylene terephthalate) and preparation method thereof 江苏万纳普新材料科技有限公司 2021-03-23 CN disclosed
CN-110669281-A Special flame-retardant synergistic functional master batch for modifying polycarbonate and alloy thereof and preparation method thereof 江苏万纳普新材料科技有限公司 2020-01-10 CN disclosed
CN-110577698-A special halogen-free flame-retardant synergistic functional master batch for PBT resin modification and preparation method thereof 江苏万纳普新材料科技有限公司 2019-12-17 CN disclosed