SCHEMBL8765773

SCHEMBL8765773

[CH2]CCOOC(C)(C)CC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8765078 0.86 TSHR (0.35) TSHRALDH1A1TDP1
SCHEMBL7801141 0.79 TSHR (0.41) TSHRALDH1A1TDP1
SCHEMBL325597 0.79 TSHR (0.41) TSHRALDH1A1TDP1
SCHEMBL25195648 0.79
SCHEMBL20448113 0.79 TSHR (0.41) TSHRALDH1A1TDP1
SCHEMBL28550729 0.77 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL2316191 0.76
SCHEMBL786803 0.75 TSHR (0.38) TSHRALDH1A1TDP1
SCHEMBL9752478 0.75 TSHR (0.35) TSHRALDH1A1TDP1
SCHEMBL7996923 0.74

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-0785964-A1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS THE DOW CHEMICAL COMPANY (US) 1997-07-30 EP disclosed
WO-1996011970-A1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS THE DOW CHEMICAL COMPANY (US) 1996-04-25 WO disclosed