Isopropyl Alcohol

Isopropyl Alcohol

SCHEMBL9614918

CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)O.[Y]

nearest known ligand 0.50

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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 SCHEMBL3263965 0.94 TSHR (0.50) TSHRALDH1A1LMNAMAPK1TDP1
SCHEMBL1514759 0.94 TSHR (0.56) TSHR
SCHEMBL75925 0.90 TSHR (0.59) TSHRMAPK1
SCHEMBL12081199 0.90 TSHR (0.59) TSHRMAPK1
SCHEMBL5454145 0.87 TSHR (0.56) TSHR
SCHEMBL29516058 0.87 TSHR (0.56) TSHR
SCHEMBL8062093 0.87 TSHR (0.56) TSHR
SCHEMBL1349107 0.87 TSHR (0.56) TSHR
SCHEMBL18526910 0.87 TSHR (0.56) TSHR
SCHEMBL5440021 0.87 TSHR (0.56) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493529-A1 YTTRIUM AND RARE EARTH COMPOUNDS CATALYZED LACTONE POLYMERIZATION. DU PONT (US) 1992-07-08 EP claimed
US-5028667-A Biodegradable Polymers For Medical Uses And Flexible Films For Packaging E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-02 US claimed
WO-1991005001-A1 YTTRIUM AND RARE EARTH COMPOUNDS CATALYZED LACTONE POLYMERIZATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-18 WO claimed
EP-0493529-A1 YTTRIUM AND RARE EARTH COMPOUNDS CATALYZED LACTONE POLYMERIZATION. DU PONT (US) 1992-07-08 EP disclosed
US-5095098-A Biodegradable E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-10 US disclosed
US-5028667-A Biodegradable Polymers For Medical Uses And Flexible Films For Packaging E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-02 US disclosed
WO-1991005001-A1 YTTRIUM AND RARE EARTH COMPOUNDS CATALYZED LACTONE POLYMERIZATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-18 WO disclosed