SCHEMBL3633660

SCHEMBL3633660

CCCNCC(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
ANPEP P15144 1/20 0.41
ADH1B P00325 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PAOX Q6QHF9 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
SCHEMBL14536466 0.87 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4ANPEPKDM4E
SCHEMBL8528177 0.83 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4ANPEPADH1B
SCHEMBL19880451 0.83 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4ANPEP
SCHEMBL172289 0.83 TSHR (0.78) ALDH1A1TSHRCYP3A4ANPEPKDM4E
SCHEMBL29313151 0.81 ALDH1A1 (0.40) ALDH1A1TSHRCYP3A4ANPEP
Hydrochloric Acid SCHEMBL11121262 0.81 CYP3A4 (0.75) ALDH1A1TSHRCYP3A4KDM4E
SCHEMBL277434 0.81 ALDH1A1 (0.60) ALDH1A1TSHRCYP3A4KDM4E
SCHEMBL10045097 0.80 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4ANPEPKDM4E
SCHEMBL21158696 0.80 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4ANPEPADH1B
SCHEMBL11663277 0.79 TSHR (0.55) ALDH1A1TSHRCYP3A4ANPEPADH1B

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-2164590-A1 METHOD FOR THE DIRECT ELUTION OF REACTIVE 18F FLUORIDE FROM AN ANION EXCHANGE RESIN IN AN ORGANIC MEDIUM SUITABLE FOR RADIOLABELLING WITHOUT ANY EVAPORATION STEP BY THE USE OF STRONG ORGANIC BASES Trasis S.A. (BE) 2010-03-24 EP claimed
WO-2009003251-A1 METHOD FOR THE DIRECT ELUTION OF REACTIVE 18F FLUORIDE FROM AN ANION EXCHANGE RESIN IN AN ORGANIC MEDIUM SUITABLE FOR RADIOLABELLING WITHOUT ANY EVAPORATION STEP BY THE USE OF STRONG ORGANIC BASES TRASIS S.A. (BE) 2009-01-08 WO claimed
WO-2017201342-A1 POLYNUCLEOTIDES ENCODING JAGGED1 FOR THE TREATMENT OF ALAGILLE SYNDROME MODERNATX, INC. (US) 2017-11-23 WO disclosed
EP-2074104-A1 PROCESS FOR PREPARING 6-PHEN0XYPYRIMIDIN-4-OL DERIVATIVES IN THE PRESENCE OF A QUINUCLIDINE OR A N-METHYL PYRROLIDINE DERIVATIVE Syngenta Limited (GB) 2009-07-01 EP disclosed
WO-2008043977-A1 PROCESS FOR PREPARING 6-PHEN0XYPYRIMIDIN-4-OL DERIVATIVES IN THE PRESENCE OF A QUINUCLIDINE OR A N-METHYL PYRROLIDINE DERIVATIVE SYNGENTA LIMITED (GB) 2008-04-17 WO disclosed
EP-0807106-B1 PROCESS FOR PREPARING 4,6-DICHLORO-PYRIMIDINE SYNGENTA LTD (GB) 2001-10-17 EP disclosed