SCHEMBL5484580

SCHEMBL5484580

CCCC(C)OC(=O)OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FAAH O00519 5/20 0.35
ALDH1A1 P00352 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL14244876 0.89 SOAT1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5699404 0.86 FAAH (0.50) FAAHALDH1A1CNR1CNR2
SCHEMBL5493072 0.85 FAAH (0.53) FAAHALDH1A1CNR1CNR2LMNA
SCHEMBL33485 0.84 FAAH (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5490241 0.83 MAPT (0.37) CHRM1TSHRFFAR3SOAT1
SCHEMBL349333 0.82
SCHEMBL5699432 0.81 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8358144 0.80 FAAH (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4912336 0.80 FAAH (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
Hydrochloric Acid SCHEMBL38661995 0.80 CHRM1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574771-B2 Rechargeable lithium battery SAMSUNG SDI CO., LTD. (KR) 2013-11-05 US claimed
US-20070154810-A1 Rechargeable lithium battery SAMSUNG SDI CO., LTD. (KR) 2007-07-05 US claimed
EP-1086984-B1 Compounds for mass colouration of polymers CIBA SC HOLDING AG (CH) 2006-08-02 EP disclosed
US-6762224-B2 SOLUBLE PIGMENT PRECURSORS HAVING HIGHER THERMAL STABILITY CIBA SPECIALTY CHEMICALS CORPORATION 2004-07-13 US disclosed
US-20020065401-A1 Novel compounds for mass colouration of high temperature polymers FEILER LEONHARD (DE) 2002-05-30 US disclosed
US-6355783-B1 ESTERIFIED DERIVATIVES OF QUINACRIDONE, ANTHRAQUINONE, PERYLENE, INDIGO, QUINOPHTHALONE, INDANTHRONE, ISOINDOLE, DIOXAZINE, AZO, PHTHALOCYANINE OR DIKETOPYRROLOPYRROLE DYES CIBA SPECIALTY CHEMICALS CORPORATION 2002-03-12 US disclosed
EP-1086984-A2 Compounds for mass colouration of polymers Ciba SC Holding AG (CH) 2001-03-28 EP disclosed