SCHEMBL7698937

SCHEMBL7698937

C=CCOS(=O)OCCCC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.32
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL7703229 0.94 TSHR (0.41) TSHRHPGDALDH1A1
SCHEMBL7704153 0.88 TSHR (0.32) TSHRMEN1POLBKMT2A
SCHEMBL775328 0.82 CYP3A4 (0.42) TSHRHPGDALDH1A1ATMCYP3A4
SCHEMBL667596 0.80 CYP2C19 (0.33)
SCHEMBL7701588 0.79
SCHEMBL28170174 0.76 EPHX2 (0.44) TSHRHPGD
SCHEMBL28015093 0.76 EPHX2 (0.44) TSHRHPGD
SCHEMBL27843847 0.76 EPHX2 (0.44) TSHRHPGD
SCHEMBL1723585 0.76 CYP3A4 (0.37) TSHRHPGDALDH1A1ATMCYP3A4
SCHEMBL776945 0.75 EPHX2 (0.42) TSHRHPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403256-B1 Alkali metal electrochemical cell activated with a nonaqueous electrolyte having a sulfite additive WILSON GREATBATCH LTD. 2002-06-11 US claimed
US-6350542-B1 Sulfite additives for nonaqueous electrolyte rechargeable cells WILSON GREATBATCH LTD. 2002-02-26 US claimed
EP-1022799-A2 Sulfite additives for non-aqueous electrolyte rechargeable cells Wilson Greatbatch Limited (US) 2000-07-26 EP claimed
US-6403256-B1 Alkali metal electrochemical cell activated with a nonaqueous electrolyte having a sulfite additive WILSON GREATBATCH LTD. 2002-06-11 US disclosed
US-6350542-B1 Sulfite additives for nonaqueous electrolyte rechargeable cells WILSON GREATBATCH LTD. 2002-02-26 US disclosed
EP-1022799-A2 Sulfite additives for non-aqueous electrolyte rechargeable cells Wilson Greatbatch Limited (US) 2000-07-26 EP disclosed