SCHEMBL21714540

SCHEMBL21714540

C=C(C)C(=O)OCC.CC(C)N(C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.50
GLO1 Q04760 1/20 0.44
ALDH1A1 P00352 7/20 0.42
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MAPT P10636 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CASP1 P29466 1/20 0.34
ALOX15 P16050 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
Isopropyl Alcohol SCHEMBL11332211 0.85 TSHR (0.59) TSHRTHRBGLO1ALDH1A1LMNA
SCHEMBL15030 0.85
SCHEMBL19409375 0.85 THRB (0.64) TSHRTHRBGLO1ALDH1A1LMNA
SCHEMBL21714283 0.85 TSHR (0.55) TSHRTHRBALDH1A1LMNAGAA
Isopropylamine SCHEMBL28051548 0.83 TSHR (0.57) TSHRTHRBGLO1ALDH1A1LMNA
Trimethylammonium SCHEMBL421649 0.83 THRB (0.57) TSHRTHRBGLO1ALDH1A1LMNA
Ethane SCHEMBL21616541 0.83 THRB (0.61) TSHRTHRBGLO1ALDH1A1LMNA
Acetone SCHEMBL11325819 0.83 THRB (0.61) TSHRTHRBGLO1ALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL2598325 0.83
Hydrochloric Acid SCHEMBL675826 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3830236-A2 CELL CULTURE SUBSTRATE TERUMO Kabushiki Kaisha (JP) 2021-06-09 EP disclosed
WO-2020036203-A2 CELL CULTURE SUBSTRATE TERUMO KABUSHIKI KAISHA (JP) 2020-02-20 WO disclosed
US-20200056137-A1 CELL CULTURE SUBSTRATE COMPRISING A COPOLYMER AND A STRUCTURAL UNIT TERUMO KABUSHIKI KAISHA (JP) 2020-02-20 US disclosed