SCHEMBL9749090

SCHEMBL9749090

COCCCOCCCOC(=O)OCCCOCCCOC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 4/20 0.38
EPHX2 P34913 2/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.32
CYP3A4 P08684 2/20 0.31
NAAA Q02083 1/20 0.31
ABCB11 O95342 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL654465 0.93 ALDH1A1 (0.46) ALDH1A1TSHREPHX2KMT2ARECQL
SCHEMBL1469557 0.91 CYP3A4 (0.39) ALDH1A1TSHREPHX2KMT2ACYP3A4
SCHEMBL20888607 0.91 CYP3A4 (0.39) ALDH1A1TSHREPHX2KMT2ACYP3A4
SCHEMBL27254661 0.90 ALDH1A1 (0.50) ALDH1A1TSHRKMT2ARECQLATM
SCHEMBL1469990 0.87 ALDH1A1 (0.52) ALDH1A1TSHRRECQLATMCYP3A4
SCHEMBL1471890 0.86 ALDH1A1 (0.39) ALDH1A1TSHREPHX2KMT2ACYP3A4
SCHEMBL1470344 0.86 TSHR (0.47) ALDH1A1TSHRKMT2ASMN1; SMN2ATM
SCHEMBL12452418 0.86 CYP3A4 (0.39) ALDH1A1TSHRATMCYP3A4NAAA
SCHEMBL1469846 0.86 ALDH1A1 (0.50) ALDH1A1TSHREPHX2ATMCYP3A4
SCHEMBL18287424 0.85 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4NAAA

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
EP-0492858-A2 Solid electrolytes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-01 EP disclosed
US-5001023-A Batteries, multicompartment device with electrolyte IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-19 US disclosed
EP-0332771-A1 Solid electrolytes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-20 EP disclosed
EP-0331342-A2 Solid electrolyte devices IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-06 EP disclosed
US-4822701-A CROSSLINKED POLYMER, APROTIC LIQUID, AND AMMONIUM, ALKALI OR ALKALI EARTH SALT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-04-18 US disclosed
EP-0260847-A1 Solid electrolytes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-23 EP disclosed