SCHEMBL21694591

SCHEMBL21694591

[CH2]CCC/C=C/CCCCCCCCCC=C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.41
ABCC4 O15439 1/20 0.41
ALDH1A1 P00352 4/20 0.39
TRPA1 O75762 2/20 0.38
USP2 O75604 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 3/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 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
SCHEMBL25182459 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL29284390 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL29284478 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL25171293 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL21694592 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL28939068 0.97 TSHR (0.43) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL25181796 0.94 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL25178099 0.94 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL25178081 0.94 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL25178947 0.94 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023085299-A1 CATIONIC LIPID 武田薬品工業株式会社 2023-05-19 WO disclosed
US-20220145329-A1 METHOD FOR TRANSFECTION INTO CARDIOMYOCYTES USING CATIONIC LIPID TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-05-12 US disclosed
EP-3842538-A1 METHOD FOR TRANSFECTION INTO CARDIOMYOCYTES USING CATIONIC LIPID Kyoto University (JP) 2021-06-30 EP disclosed
EP-3835287-A1 CATIONIC LIPID Takeda Pharmaceutical Company Limited (JP) 2021-06-16 EP disclosed
CN-112639111-A Method for transfecting cardiomyocytes using cationic lipids 国立大学法人京都大学 2021-04-09 CN disclosed
CN-112533893-A Cationic lipid 武田药品工业株式会社 2021-03-19 CN disclosed
WO-2020032184-A1 CATIONIC LIPID 武田薬品工業株式会社 2020-02-13 WO disclosed
WO-2020032185-A1 METHOD FOR TRANSFECTION INTO CARDIOMYOCYTES USING CATIONIC LIPID 国立大学法人京都大学 2020-02-13 WO disclosed