SCHEMBL31365425

SCHEMBL31365425

CCCC(C)CC(C)CC(C)CC(C)CCC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
OPRM1 P35372 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL29197507 1.00 TSHR (0.53) TSHROPRM1CHRM1AKR1A1CHRM3
SCHEMBL4269680 0.96 TSHR (0.56) TSHROPRM1CHRM1AKR1A1CHRM3
SCHEMBL316818 0.91 TSHR (0.46) TSHR
SCHEMBL3195793 0.91 TSHR (0.46) TSHR
SCHEMBL3456086 0.91 TSHR (0.46) TSHR
SCHEMBL3455995 0.91 TSHR (0.46) TSHR
SCHEMBL3455234 0.91 TSHR (0.46) TSHR
SCHEMBL3456662 0.91 TSHR (0.46) TSHR
SCHEMBL9175617 0.88 TSHR (0.43) TSHROPRM1TDP1
SCHEMBL599054 0.87 TSHR (0.48) 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-119059889-A Haloalkylalkoxymethyl ether compound, process for producing 4,6,8,10,16-pentamethylbehene therefrom, and process for producing synthetic intermediate thereof 信越化学工业株式会社 2024-12-03 CN claimed
CN-119059889-A Haloalkylalkoxymethyl ether compound, process for producing 4,6,8,10,16-pentamethylbehene therefrom, and process for producing synthetic intermediate thereof 信越化学工业株式会社 2024-12-03 CN disclosed