SCHEMBL27768875

SCHEMBL27768875

C=CC(=O)OC(CCCCCCCCC)CN1C=CN(C)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.37
▸ HPGD P15428 1/20 0.34
▸ THRB P10828 2/20 0.33
▸ THRA P10827 1/20 0.33
▸ GLS2 Q9UI32 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ ZDHHC20 Q5W0Z9 1/20 0.30
▸ ZDHHC2 Q9UIJ5 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
Bromide SCHEMBL2394896 0.99 TSHR (0.36) TSHRHPGDTHRBTHRAGLS2
Bromide SCHEMBL2395982 0.83 TSHR (0.35) TSHR
SCHEMBL20496022 0.82 TSHR (0.40) TSHRHPGDTHRBTHRA
Hydrochloric Acid SCHEMBL20496011 0.81 TSHR (0.40) TSHRHPGDTHRBTHRA
SCHEMBL31742396 0.80 TSHR (0.50) TSHRHPGDTHRBTHRACA2
SCHEMBL31456184 0.80 TSHR (0.50) TSHRHPGDTHRBTHRACA2
SCHEMBL867648 0.80 TSHR (0.50) TSHRHPGDTHRBTHRACA2
SCHEMBL10080799 0.80 TSHR (0.50) TSHRHPGDTHRBTHRACA2
SCHEMBL7537024 0.80 TSHR (0.50) TSHRHPGDTHRBTHRACA2
SCHEMBL2688012 0.78 TSHR (0.48) TSHRHPGDTHRBTHRAZDHHC20

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-101619115-B High-temperature proton-exchange polymer film and preparation method thereof UNIV SUZHOU 2011-09-21 — — CN disclosed
CN-101619115-A High-temperature proton-exchange polymer film and preparation method thereof UNIV SUZHOU 2010-01-06 — — CN disclosed
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