SCHEMBL2558306

SCHEMBL2558306

CC(C)N(C=CCCCC#N)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ENPP1 P22413 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2229888 0.76 CYP1A2 (0.38) TSHR
SCHEMBL29617181 0.76 TSHR (0.35) TSHRALDH1A1
SCHEMBL29617180 0.76 TSHR (0.35) TSHRALDH1A1
SCHEMBL29617173 0.74 FAAH (0.41) TSHRALDH1A1
SCHEMBL17982757 0.74 TSHR (0.45) TSHRENPP1ALDH1A1
SCHEMBL17982758 0.74 TSHR (0.45) TSHRENPP1ALDH1A1
SCHEMBL30002745 0.73 TSHR (0.55) TSHRENPP1ALDH1A1
SCHEMBL29617152 0.72 FAAH (0.45)
SCHEMBL9421757 0.72 TSHR (0.30) TSHRALDH1A1
SCHEMBL9421755 0.72 TSHR (0.30) TSHRALDH1A1

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-2382240-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2010085622-A9 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-12-23 WO disclosed
WO-2010085622-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-07-29 WO disclosed