SCHEMBL31142004

SCHEMBL31142004

CC(C#N)CCOCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45

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
SCHEMBL131389 0.76 ALDH1A1 (0.36)
SCHEMBL13464912 0.74
SCHEMBL16121041 0.74
SCHEMBL31142001 0.73 TSHR (0.46) TSHR
SCHEMBL12810377 0.73 TSHR (0.50) TSHR
SCHEMBL23239809 0.72
SCHEMBL2708464 0.72
SCHEMBL2579302 0.72 ALDH1A1 (0.33)
Lithium Ion SCHEMBL30715902 0.71 CYP2C9 (0.30) TSHR
SCHEMBL19233798 0.69 HTT (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118598774-B Cyanoethyl ether compound and preparation method and application thereof 上海如鲲新材料股份有限公司 2024-11-26 CN disclosed
CN-118598774-A Cyanoethyl ether compound and preparation method and application thereof 上海如鲲新材料股份有限公司 2024-09-06 CN disclosed