SCHEMBL2399683

SCHEMBL2399683

C[C]1NCC(c2ccccc2)O1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAOB P27338 5/20 0.38
KDM4E B2RXH2 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
CYP19A1 P11511 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRA2A P08913 5/20 0.37
IDO1 P14902 1/20 0.35

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
SCHEMBL2899162 0.76 HSD17B10 (0.47) TSHRMAOBKDM4EADORA3AR
SCHEMBL8809819 0.76 HSD17B10 (0.47) TSHRMAOBKDM4EADORA3AR
SCHEMBL29448834 0.76 TSHR (0.45) TSHRMAOBKDM4EADORA3AR
SCHEMBL4429 0.76 HSD17B10 (0.47) TSHRMAOBKDM4EADORA3AR
SCHEMBL14572994 0.76 TSHR (0.41) TSHRMAOBKDM4EADORA3AR
SCHEMBL4970711 0.74 BRD4 (0.42) TSHRMAOBCYP19A1
SCHEMBL9177187 0.73 NISCH (0.58) TSHRMAOBKDM4EADORA3AR
SCHEMBL4969411 0.73 MAOB (0.50) MAOBCYP19A1HSD17B10
SCHEMBL2362658 0.73 MAOB (0.54) MAOBCYP19A1
SCHEMBL4970322 0.70 ATM (0.38) TSHRMAOBCYP19A1

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
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US claimed
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
EP-2069513-A2 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES California Institute of Technology (US) 2009-06-17 EP disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
WO-2008016709-A9 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INST OF TECHN (US) 2008-05-29 WO disclosed
WO-2008016709-A2 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-02-07 WO disclosed