SCHEMBL28885603

SCHEMBL28885603

CC(C)OC(=O)C(C)(F)C(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPN1 P18031 1/20 0.37
LMNA P02545 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ADRA1A P35348 2/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRB3 P13945 1/20 0.35
HPGD P15428 1/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL12128600 0.84 TSHR (0.43) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL13174383 0.84 TSHR (0.43) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL826905 0.81 TSHR (0.46) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL13174392 0.80 TSHR (0.40) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL4306399 0.79 TSHR (0.43) TSHRMEN1KMT2APTPN1LMNA
Ammonia Solution, Strong SCHEMBL28258319 0.79 TSHR (0.43) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL6063978 0.78 TSHR (0.48) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL2478389 0.78 TSHR (0.48) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL8024485 0.77 TSHR (0.42) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL21768183 0.77 TSHR (0.42) TSHRMEN1KMT2APTPN1LMNA

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-110800150-B Non-aqueous electrolyte and electrolytic solution containing electrolyte stabilizing material, secondary battery containing the same, and use thereof 株式会社村田制作所 2022-11-29 CN disclosed
CN-110800150-A Non-aqueous electrolyte and electrolytic solution containing electrolyte stabilizing material, secondary battery containing the same, and use thereof 株式会社村田制作所 2020-02-14 CN disclosed