SCHEMBL9543323

SCHEMBL9543323

CCC(C)OC(C)CC.[Na]

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.32

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
SCHEMBL5791362 0.96
SCHEMBL147241 0.96
SCHEMBL14000783 0.96
Potassium SCHEMBL9541959 0.92 MAPK1 (0.44) MAPK1TSHRLMNA
Phosphine SCHEMBL21561433 0.92 MAPK1 (0.44) MAPK1TSHRLMNA
Ethane SCHEMBL7007928 0.92 MAPK1 (0.44) MAPK1TSHRLMNA
SCHEMBL5697610 0.92 MAPK1 (0.44) MAPK1TSHRLMNA
Propane SCHEMBL20677049 0.92 MAPK1 (0.44) MAPK1TSHRLMNA
Methane SCHEMBL7004649 0.92 MAPK1 (0.44) MAPK1TSHRLMNA
Ammonia Solution, Strong SCHEMBL1007891 0.92 MAPK1 (0.44) MAPK1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993010076-A1 SYNTHESIS AND OPTICAL RESOLUTION OF THE TAXOL SIDE CHAIN AND RELATED COMPOUNDS THE UNIVERSITY OF MISSISSIPPI (US) 1993-05-27 WO claimed
WO-1993010076-A1 SYNTHESIS AND OPTICAL RESOLUTION OF THE TAXOL SIDE CHAIN AND RELATED COMPOUNDS THE UNIVERSITY OF MISSISSIPPI (US) 1993-05-27 WO disclosed