SCHEMBL7589913

SCHEMBL7589913

CC(=O)OC(C#N)CCC=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PGD P52209 1/20 0.31

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
SCHEMBL7177949 0.89 TSHR (0.34) TSHRTDP1
SCHEMBL11661243 0.84 USP2 (0.36) TSHR
SCHEMBL2297031 0.80 ALOX15 (0.32)
SCHEMBL7175617 0.79 TSHR (0.36) TSHRTDP1
SCHEMBL8965442 0.79 TSHR (0.36) TSHRTDP1
SCHEMBL27768509 0.77 TSHR (0.34) TSHR
SCHEMBL7183665 0.77 EPHX2 (0.41) TSHR
SCHEMBL28394177 0.76
Acetaldehyde SCHEMBL7177953 0.76 TSHR (0.33) TSHR
SCHEMBL1573329 0.76 FAAH (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867427-B1 Process for producing branched aldehydes KURARAY CO (JP) 2002-11-06 EP disclosed
US-5932761-A Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1999-08-03 US disclosed
EP-0867427-A1 Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1998-09-30 EP disclosed