SCHEMBL4064266

SCHEMBL4064266

C=C(C)C(=O)OC(C=O)COC

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.35

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
SCHEMBL4067172 0.83 THRB (0.39) ALDH1A1TSHRTHRB
SCHEMBL4065864 0.82 THRB (0.44) ALDH1A1TSHRTHRB
SCHEMBL2515977 0.81 TSHR (0.39) ALDH1A1TSHRTHRB
SCHEMBL4062183 0.80 TSHR (0.42) ALDH1A1TSHRTHRB
SCHEMBL14546264 0.76 TSHR (0.47) ALDH1A1TSHRTHRB
SCHEMBL4063252 0.76 TSHR (0.42) ALDH1A1TSHRTHRB
SCHEMBL29099355 0.75 LMNA (0.35) TSHR
SCHEMBL28976553 0.75 LMNA (0.35) TSHR
SCHEMBL28976554 0.75 LMNA (0.35) TSHR
SCHEMBL503503 0.75 TSHR (0.50) ALDH1A1TSHRTHRB

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-2009158302-A2 VISCOUS ALPHA-CYANOACRYLATE COMPOSITIONS CLOSURE MEDICAL CORPORATION (US) 2009-12-30 WO claimed
WO-2009158302-A2 VISCOUS ALPHA-CYANOACRYLATE COMPOSITIONS CLOSURE MEDICAL CORPORATION (US) 2009-12-30 WO disclosed