SCHEMBL5029019

SCHEMBL5029019

CC(C)(C)C(O)CCC(O)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
MAPK1 P28482 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
SCHEMBL5185774 1.00 TSHR (0.59) TSHRMAPK1
SCHEMBL4547683 0.87 TSHR (0.48) TSHRMAPK1
SCHEMBL5127678 0.86 TSHR (0.53) TSHR
SCHEMBL5187460 0.85 TSHR (0.46) TSHR
SCHEMBL6570658 0.83
SCHEMBL1050075 0.83
SCHEMBL1682640 0.83
SCHEMBL10286008 0.83
SCHEMBL12529435 0.81 TSHR (0.48) TSHR
Ammonia Solution, Strong SCHEMBL1334082 0.81 TSHR (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008055964-A1 METHOD FOR PRODUCING CYCLIC PHOSPHINES OR BIPHOSPHINES, CYCLIC PHOSPHONATES OF OPTICALLY ACTIVE DIOLS, AND THE PRODUCTION OF SAME Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2008-05-15 WO claimed
WO-2008055963-A1 NOVEL METHOD FOR PRODUCING ORGANIC PHOSPHORUS COMPOUNDS, PHOSPHORUS COMPOUNDS PRODUCED USING SAID METHOD, THE METAL COMPLEXES OF SAID COMPOUNDS, AND USE OF SAME Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2008-05-15 WO disclosed
WO-2008055964-A1 METHOD FOR PRODUCING CYCLIC PHOSPHINES OR BIPHOSPHINES, CYCLIC PHOSPHONATES OF OPTICALLY ACTIVE DIOLS, AND THE PRODUCTION OF SAME Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2008-05-15 WO disclosed