SCHEMBL2987279

SCHEMBL2987279

C=CCOP(=O)(OCC=C)C(=O)CC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL16987216 0.78 TSHR (0.33) TSHRALDH1A1SMN1; SMN2PKM
SCHEMBL18177940 0.76 TSHR (0.37) TSHRALDH1A1SMN1; SMN2PKMNPC1
SCHEMBL11649999 0.76 PKM (0.35) TSHRSMN1; SMN2PKMMAPT
SCHEMBL11682393 0.75 ALDH1A1 (0.33) TSHRALDH1A1SMN1; SMN2PKMNPC1
SCHEMBL2994641 0.75 CA12 (0.48) TSHRALDH1A1
SCHEMBL11681266 0.74 MAPT (0.37) TSHRALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL11308533 0.74 BTN3A1 (0.31)
SCHEMBL11741983 0.73 TSHR (0.31) TSHR
SCHEMBL18177942 0.73 TSHR (0.39) TSHRSMN1; SMN2PKMNPC1POLB
SCHEMBL18177937 0.73 TSHR (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962192-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-24 US disclosed
US-8574757-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-05 US disclosed
US-20120264011-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-18 US disclosed
US-20100035147-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-11 US disclosed