SCHEMBL10397111

SCHEMBL10397111

CC(C)(C)OOC1(OOC(C)(C)C)CCCCC1.CCC(C)(C)OOC1(OOC(C)(C)CC)CCCCC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5486602 1.00 ALDH1A1 (0.30) ALDH1A1TSHRTDP1
SCHEMBL11588625 0.94 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL23162 0.94 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
Propane SCHEMBL7172421 0.88 TSHR (0.30) TSHRTDP1
SCHEMBL32681422 0.87 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL24857310 0.86
SCHEMBL23274 0.85 TSHR (0.35) TSHRTDP1
SCHEMBL11667188 0.85 TSHR (0.35) TSHRTDP1
SCHEMBL1415626 0.85 TSHR (0.35) TSHRTDP1
SCHEMBL891682 0.85 TSHR (0.35) TSHRTDP1

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
US-4962147-A POLYACRYLIC ACID AS SUSPENSION AID HOECHST CELANESE CORPORATION (US) 1990-10-09 US disclosed
EP-0343986-A2 Process for the suspension polymerization of 4-acetoxystyrene and hydrolysis to 4-hydroxystyrene polymers HOECHST CELANESE CORPORATION (US) 1989-11-29 EP disclosed