SCHEMBL691702

SCHEMBL691702

CCC(C)(O)NO

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL691822 1.00
SCHEMBL9979034 1.00
SCHEMBL26978248 0.76 TSHR (0.38)
SCHEMBL1678713 0.76
SCHEMBL4489455 0.73
SCHEMBL7948575 0.71
SCHEMBL1678670 0.69
SCHEMBL8591247 0.69
Hydrogen Sulfide SCHEMBL28198805 0.69
Hydrochloric Acid SCHEMBL28200882 0.69

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829731-B2 Methylhydroxylaminopropanol derivative and its use as intermediate for preparation of 3-methylamino-1-(2-thienyl)propan-1-OL SCI PHARMTECH, INC. (TW) 2010-11-09 US claimed
US-20090112000-A1 METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AND ITS USE AS INTERMEDIATE FOR PREPARATION OF 3-METHYLAMINO-1-(2-THIENYL)PROPAN-1-OL SCI PHARMTECH, INC. (TW) 2009-04-30 US claimed
US-8957227-B2 Preparation of Duloxetine® hydrochloride using optically active methylhydroxylaminopropanol compound as an intermediate SCI PHARMTECH, INC. (TW) 2015-02-17 US disclosed
EP-2386549-B1 Process for preparing (S)-(+)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine by using an optically active methylhydroxylaminopropanol compound as intermediate SCI PHARMATECH INC (TW) 2014-03-19 EP disclosed
US-8614336-B2 Process for preparing N-methyl-N-hydroxyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine derivative SCI PHARMTECH, INC. (TW) 2013-12-24 US disclosed
US-8530674-B2 Process for preparing (S)-(+)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamine by using optically active methylhydroxylaminopropanol compound as intermediate SCI PHARMTECH, INC. (TW) 2013-09-10 US disclosed
US-8420832-B2 Optically active methylhydroxylaminopropanol derivative and its use as intermediate for preparation of (S)-(-)-3-methylamino-1-(-2-thienyl)propan-1-ol SCI PHARMTECH, INC. (TW) 2013-04-16 US disclosed
US-8420832-B2 Optically active methylhydroxylaminopropanol derivative and its use as intermediate for preparation of (S)-(-)-3-methylamino-1-(-2-thienyl)propan-1-ol SCI PHARMTECH, INC. (TW) 2013-04-16 US disclosed
US-8299305-B2 Method for preparing atomoxetine SCI PHARMTECH, INC. (TW) 2012-10-30 US disclosed
US-20120190869-A1 OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AND ITS USE AS INTERMEDIATE FOR PREPARATION OF (S)-(-)-3-METHYLAMINO-1-(-2-THIENYL)PROPAN-1-OL SCI PHARMTECH, INC. (TW) 2012-07-26 US disclosed
US-8168805-B2 Optically active methylhydroxylaminopropanol compound and its use as intermediate for preparation of (S)-(−)-3-methylamino-1-(2-thienyl)propan-1-ol SCI PHARMTECH, INC (TW) 2012-05-01 US disclosed
US-7829731-B2 Methylhydroxylaminopropanol derivative and its use as intermediate for preparation of 3-methylamino-1-(2-thienyl)propan-1-OL SCI PHARMTECH, INC. (TW) 2010-11-09 US disclosed
US-7829731-B2 Methylhydroxylaminopropanol derivative and its use as intermediate for preparation of 3-methylamino-1-(2-thienyl)propan-1-OL SCI PHARMTECH, INC. (TW) 2010-11-09 US disclosed
US-20100234620-A1 PROCESS FOR PREPARING N-METHYL-N-HYDROXYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE DERIVATIVE SCI PHARMTECH, INC. (TW) 2010-09-16 US disclosed
US-20100234619-A1 PREPARATION OF (S)-(+)-N-METHYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL) PROPYLAMINE USING OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AS AN INTERMEDIATE SCI PHARMTECH, INC. (TW) 2010-09-16 US disclosed
EP-2228372-A1 Process for Preparing (S)-(+)-N-Methyl-3-(1-Naphthyloxy)-3-(2-Thienyl-Propylamine by using Optically Active Methylhydroxylaminopropanol Compound as an Intermediate SCI Pharmatech, Inc. (TW) 2010-09-15 EP disclosed
EP-2228372-A1 Process for Preparing (S)-(+)-N-Methyl-3-(1-Naphthyloxy)-3-(2-Thienyl-Propylamine by using Optically Active Methylhydroxylaminopropanol Compound as an Intermediate SCI Pharmatech, Inc. (TW) 2010-09-15 EP disclosed
US-20090112000-A1 METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AND ITS USE AS INTERMEDIATE FOR PREPARATION OF 3-METHYLAMINO-1-(2-THIENYL)PROPAN-1-OL SCI PHARMTECH, INC. (TW) 2009-04-30 US disclosed
US-20090112000-A1 METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AND ITS USE AS INTERMEDIATE FOR PREPARATION OF 3-METHYLAMINO-1-(2-THIENYL)PROPAN-1-OL SCI PHARMTECH, INC. (TW) 2009-04-30 US disclosed
US-20090112001-A1 OPTICALLY ACTIVE METHYLHYDROXYLAMINOPROPANOL DERIVATIVE AND ITS USE AS INTERMEDIATE FOR PREPARATION OF (S)-(-)-3-METHYLAMINO-1-(2-THIENYL)PROPAN-1-OL SCI PHARMTECH, INC. (TW) 2009-04-30 US disclosed