Isopropyl Alcohol

Isopropyl Alcohol

SCHEMBL9170355

CC(C)O.CC(C)O.CC(C)O.NCCC[Ti]

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
TRPA1 O75762 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NFKB1 P19838 1/20 0.33
DNM1 Q05193 5/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
TSHR P16473 2/20 0.32
BLM P54132 1/20 0.32
SPHK1 Q9NYA1 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
Isopropyl Alcohol SCHEMBL8510515 0.89 DNM1 (0.42) TRPV1TRPA1LMNAALDH1A1DNM1
Isopropyl Alcohol SCHEMBL5832209 0.81 LMNA (0.46) TRPV1TRPA1LMNAALDH1A1NFKB1
Isopropyl Alcohol SCHEMBL6248708 0.81
SCHEMBL4882193 0.80
Isopropyl Alcohol SCHEMBL28370731 0.78 DNM1 (0.57) TRPV1TRPA1LMNAALDH1A1NFKB1
Isopropyl Alcohol SCHEMBL28393313 0.78 LMNA (0.43) TRPV1TRPA1LMNAALDH1A1NFKB1
Propanol SCHEMBL4886819 0.74 DNM1 (0.41) LMNAALDH1A1DNM1TSHRMEN1
Isopropyl Alcohol SCHEMBL7102704 0.73 ALDH1A1 (0.55) TRPV1TRPA1LMNAALDH1A1TSHR
Isopropyl Alcohol SCHEMBL8501608 0.73
Butylamine SCHEMBL8408315 0.71 DNM1 (0.50) TRPV1TRPA1ALDH1A1DNM1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0645048-A1 PREPARATION OF CONTROLLED SIZE INORGANIC PARTICLES FOR USE IN SEPARATIONS, AS MAGNETIC MOLECULAR SWITCHES, AND AS INORGANIC LIPOSOMES FOR MEDICAL APPLICATIONS BioQuest Incorporated (US) 1995-03-29 EP claimed
WO-1993026019-A1 PREPARATION OF CONTROLLED SIZE INORGANIC PARTICLES FOR USE IN SEPARATIONS, AS MAGNETIC MOLECULAR SWITCHES, AND AS INORGANIC LIPOSOMES FOR MEDICAL APPLICATIONS MOLECULAR BIOQUEST, INC. (US) 1993-12-23 WO claimed
EP-0506880-A1 ORGANO-METALLIC COATED PARTICLES FOR USE IN SEPARATIONS MOLECULAR BIOQUEST, INC. (US) 1992-10-07 EP claimed
WO-1991009678-A1 ORGANO-METALLIC COATED PARTICLES FOR USE IN SEPARATIONS OMNI QUEST CORPORATION (US) 1991-07-11 WO claimed
EP-0645048-A1 PREPARATION OF CONTROLLED SIZE INORGANIC PARTICLES FOR USE IN SEPARATIONS, AS MAGNETIC MOLECULAR SWITCHES, AND AS INORGANIC LIPOSOMES FOR MEDICAL APPLICATIONS BioQuest Incorporated (US) 1995-03-29 EP disclosed
US-5382468-A Biodegradable magnetic microclusters and methods for making them MOLECULAR BIOQUEST, INC. (US) 1995-01-17 US disclosed
WO-1993026019-A1 PREPARATION OF CONTROLLED SIZE INORGANIC PARTICLES FOR USE IN SEPARATIONS, AS MAGNETIC MOLECULAR SWITCHES, AND AS INORGANIC LIPOSOMES FOR MEDICAL APPLICATIONS MOLECULAR BIOQUEST, INC. (US) 1993-12-23 WO disclosed
US-5225282-A BIODEGRADABLE MAGNETIC MICROCLUSTER COMPRISING NON-MAGNETIC METAL OR METAL OXIDE PARTICLES COATED WITH A FUNCTIONALIZED POLYMER MOLECULAR BIOQUEST, INC. (US) 1993-07-06 US disclosed
EP-0546939-A1 Biodegradable magnetic microclusters and methods for making them MOLECULAR BIOQUEST, INC. (US) 1993-06-16 EP disclosed