SCHEMBL8369366

SCHEMBL8369366

CCC(C)(C)OCCOCCOC

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 1/20 0.31

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
SCHEMBL14838373 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1CA2
SCHEMBL12240840 0.93 TSHR (0.48) ALDH1A1TSHRTDP1
SCHEMBL22171617 0.92 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL27888516 0.83 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL27888507 0.83 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL13382670 0.82 TSHR (0.50) ALDH1A1TSHRTDP1
SCHEMBL14986158 0.81 CA2 (0.31) ALDH1A1TSHRTDP1CA2
SCHEMBL17622357 0.81 CA2 (0.31) ALDH1A1TSHRTDP1CA2
SCHEMBL10289657 0.80 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL16021732 0.79 CA2 (0.31) CA2

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
EP-0912815-A1 USE OF OIL AND GAS FIELD CHEMICALS BP Chemicals Limited (GB) 1999-05-06 EP disclosed
WO-1998002636-A1 USE OF OIL AND GAS FIELD CHEMICALS BP CHEMICALS LIMITED (GB) 1998-01-22 WO disclosed