SCHEMBL18935663

SCHEMBL18935663

CCCCCCNC(C)C.CCCCCCNCCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.59
S1PR2 O95136 5/20 0.44
S1PR4 O95977 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR5 Q9H228 1/20 0.44
EPHX1 P07099 5/20 0.43
ADH1B P00325 2/20 0.43
ADH1C P00326 2/20 0.43
ADH1A P07327 2/20 0.43
ADH7 P40394 2/20 0.43
ADH4 P08319 1/20 0.43
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL18935657 1.00 TSHR (0.59) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL18935659 1.00 TSHR (0.59) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL18935661 1.00 TSHR (0.59) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL18935655 1.00 TSHR (0.59) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL18935662 1.00 TSHR (0.59) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL11420227 0.98 TSHR (0.55) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL19442039 0.98 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL19442178 0.98 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL19442065 0.95 TSHR (0.65) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL24013256 0.93 TSHR (0.62) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407636-B2 Dialkylaminoalkanol friction modifiers for fuels and lubricants AFTON CHEMICAL CORPORATION (US) 2019-09-10 US disclosed
US-20180127675-A1 DIALKYLAMINOALKANOL FRICTION MODIFIERS FOR FUELS AND LUBRICANTS AFTON CHEMICAL CORPORATION 2018-05-10 US disclosed
US-9873849-B2 Dialkyaminoalkanol friction modifiers for fuels and lubricants AFTON CHEMICAL CORPORATION (US) 2018-01-23 US disclosed
US-20170166826-A1 Dialkyaminoalkanol Friction Modifiers For Fuels And Lubricants AFTON CHEMICAL CORPORATION 2017-06-15 US disclosed
EP-3178909-A1 DIALKYLAMINOALKANOL FRICTION MODIFIERS FOR FUELS AND LUBRICANTS Afton Chemical Corporation (US) 2017-06-14 EP disclosed