SCHEMBL19446243

SCHEMBL19446243

O=C(OCCO)C1CCC2C[C@@H](C(=O)OCCO)CCC2C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
POLB P06746 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
SCHEMBL15890469 1.00 TSHR (0.33) TSHRCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16303778 0.87
SCHEMBL21357046 0.85
SCHEMBL30368963 0.85 TSHR (0.39) TSHR
SCHEMBL30368740 0.85 TSHR (0.39) TSHR
SCHEMBL1297693 0.85 TSHR (0.39) TSHR
SCHEMBL1297305 0.84 TP53 (0.35) TSHR
SCHEMBL1296404 0.82 EPHX2 (0.38) TSHR
SCHEMBL1297166 0.81 TSHR (0.39) TSHRCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14394598 0.78 PPM1B (0.41) TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2674445-B1 PROCESS FOR MANUFACTURING BRANCHED AROMATIC POLYCARBONATE RESIN WITH DESIRED DEGREE OF BRANCHING MITSUBISHI GAS CHEMICAL CO (JP) 2017-10-11 EP disclosed