SCHEMBL29133230

SCHEMBL29133230

C1CCCC(C2CCCCCCC2)CCC1.O=P(O)(O)Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MMP2 P08253 7/20 0.39
CA12 O43570 6/20 0.39
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA9 Q16790 6/20 0.39
MMP1 P03956 3/20 0.39
MMP8 P22894 2/20 0.39
MMP3 P08254 2/20 0.39
FDPS P14324 1/20 0.39
MMP9 P14780 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HSD11B1 P28845 1/20 0.34
METAP1 P53582 1/20 0.34
ANPEP P15144 2/20 0.33
ERAP2 Q6P179 2/20 0.33
SLC18A3 Q16572 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
SCHEMBL29133237 1.00 ALDH1A1 (0.47) ALDH1A1MMP2CA12CA1CA2
SCHEMBL29133239 1.00 ALDH1A1 (0.47) ALDH1A1MMP2CA12CA1CA2
SCHEMBL29133211 1.00 ALDH1A1 (0.47) ALDH1A1MMP2CA12CA1CA2
Biphenyl SCHEMBL8370297 0.88 ALDH1A1 (0.53) ALDH1A1MMP2CA12CA1CA2
SCHEMBL28008801 0.84 ALDH1A1 (0.57) ALDH1A1
Biphenyl SCHEMBL6237694 0.82 ALDH1A1 (0.47) ALDH1A1MMP2CA12CA1CA2
Biphenyl SCHEMBL6352730 0.78 MMP2 (0.53) ALDH1A1MMP2CA12CA1CA2
Biphenyl SCHEMBL10695528 0.78 ALDH1A1 (0.42) ALDH1A1MMP2CA12CA1CA2
Biphenyl SCHEMBL6347356 0.78 ALDH1A1 (0.42) ALDH1A1MMP2CA12CA1CA2
SCHEMBL10784791 0.75 ALDH1A1 (0.53) ALDH1A1CES2CES1HSD11B1SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117467255-A Polylactic acid composition with high flame retardance and crystallinity and preparation method thereof 江苏康辉新材料科技有限公司 2024-01-30 CN claimed
CN-117466936-A Bio-based flame-retardant nucleation additive for polyester and preparation method thereof 江苏康辉新材料科技有限公司 2024-01-30 CN claimed
CN-117487327-A Flame-retardant low-dielectric-strength PBT composite material and preparation method thereof 江苏康辉新材料科技有限公司 2024-02-02 CN disclosed
CN-117487328-A Furanyl polyester composition with high barrier property and high crystallization property and preparation method thereof 江苏康辉新材料科技有限公司 2024-02-02 CN disclosed
CN-117467255-A Polylactic acid composition with high flame retardance and crystallinity and preparation method thereof 江苏康辉新材料科技有限公司 2024-01-30 CN disclosed
CN-117466936-A Bio-based flame-retardant nucleation additive for polyester and preparation method thereof 江苏康辉新材料科技有限公司 2024-01-30 CN disclosed
CN-117362941-A Refrigerant-resistant flame-retardant high-glass fiber reinforced PBT composite material with high crystallization temperature and preparation method thereof 江苏康辉新材料科技有限公司 2024-01-09 CN disclosed
CN-117327377-A Bio-based phosphonamide flame retardant nucleating agent reinforced PBT (polybutylene terephthalate) composition and preparation method thereof 江苏康辉新材料科技有限公司 2024-01-02 CN disclosed