SCHEMBL30440709

SCHEMBL30440709

ClCCCN1C=CN(CCCCl)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL31364414 0.85
Hydrochloric Acid SCHEMBL31364412 0.84
SCHEMBL9721423 0.74 GLB1 (0.32) TSHRTDP1
Iodide SCHEMBL31332603 0.70 GLB1 (0.37) ALDH1A1
SCHEMBL3818124 0.70 KDM4E (0.33) ALDH1A1
SCHEMBL5287303 0.69 GUSB (0.42) ALDH1A1TSHR
SCHEMBL5295186 0.69 GUSB (0.42) ALDH1A1TSHR
SCHEMBL5300666 0.69 GUSB (0.42) ALDH1A1TSHR
SCHEMBL5292901 0.69 GUSB (0.42) ALDH1A1TSHR
SCHEMBL5305780 0.69 GUSB (0.42) ALDH1A1TSHR

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
CN-113195550-B Modifier, modified conjugated diene polymer containing the modifier, and method for producing the polymer 株式会社LG化学 2023-03-28 CN disclosed