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Pentachlorophenol

Pentachlorophenol

SCHEMBL21381899

C=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(=O)O.OCC(CO)(CO)COCC(CO)(CO)CO.OCCO.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 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
Pentachlorophenol SCHEMBL301602 0.89 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Pentachlorophenol SCHEMBL10587904 0.85 CYP1A2 (0.35) CYP1A2CYP2C9TSHRCYP2C19
Methacrylic Acid SCHEMBL14843424 0.85 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Methacrylic Acid SCHEMBL22129844 0.85 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Methacrylic Acid SCHEMBL11907309 0.85 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Pentachlorophenol SCHEMBL18114673 0.84 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Pentachlorophenol SCHEMBL2178192 0.84 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Pentachlorophenol SCHEMBL20267956 0.84 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Lindane SCHEMBL2785151 0.84 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Methacrylic Acid SCHEMBL6061132 0.83 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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
WO-2021078962-A1 COMPOSITION COMPRISING ACTIVATED AND FUNCTIONALIZED PREPOLYMER TISSIUM SA (FR) 2021-04-29 — — WO disclosed
EP-3768335-A1 3D PRINTING COMPOSITION FOR BIOMATERIALS Tissium SA (FR) 2021-01-27 — — EP disclosed
WO-2019180208-A1 3D PRINTING COMPOSITION FOR BIOMATERIALS GECKO BIOMEDICAL (FR) 2019-09-26 — — WO disclosed