SCHEMBL8765071

SCHEMBL8765071

CCC[CH]OOC(C)(C)CC

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8765092 0.80 TSHR (0.35) TSHRTDP1
SCHEMBL8765766 0.80 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL9935530 0.75 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL25378886 0.72
SCHEMBL28551032 0.70
SCHEMBL29156839 0.70 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL22437 0.69 TSHR (0.56) ALDH1A1TSHRTDP1
SCHEMBL9069550 0.69 MEN1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL6863502 0.67 TSHR (0.35) ALDH1A1TSHRTDP1
SCHEMBL8497399 0.67 ALDH1A1 (0.36) ALDH1A1TSHRTDP1

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