SCHEMBL9575912

SCHEMBL9575912

CCCCCCCCCCNCC(O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALDH1A1 P00352 1/20 0.55
S1PR2 O95136 5/20 0.45
S1PR4 O95977 5/20 0.45
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 5/20 0.45
S1PR5 Q9H228 1/20 0.45
EPHX1 P07099 8/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ANPEP P15144 1/20 0.40

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
SCHEMBL8871137 1.00 TSHR (0.55) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL15309934 1.00 TSHR (0.55) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL4540119 1.00 TSHR (0.55) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL8871452 1.00 TSHR (0.55) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL8871024 1.00 TSHR (0.55) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL3284743 1.00 TSHR (0.55) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL4538493 1.00 TSHR (0.55) TSHRALDH1A1S1PR2S1PR4S1PR1
Bromide SCHEMBL9575940 0.98 TSHR (0.52) TSHRALDH1A1S1PR2S1PR4S1PR1
Hydrochloric Acid SCHEMBL2060000 0.98 ALDH1A1 (0.52) TSHRALDH1A1S1PR2S1PR4S1PR1
Water SCHEMBL11079491 0.98 TSHR (0.52) TSHRALDH1A1S1PR2S1PR4S1PR1

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-0371406-B1 OXYALKYLATED QUATERNARY AMMONIUM COMPOUNDS, PROCESSES FOR PRODUCTION THEREOF, AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING SAID COMPOUNDS DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1993-08-04 EP disclosed
US-5076828-A Immersing seeds into quaternary solution prior to planting DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1991-12-31 US disclosed
EP-0371406-A1 Oxyalkylated quaternary ammonium compounds, processes for production thereof, and plant growth regulating compositions containing said compounds DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1990-06-06 EP disclosed