SCHEMBL497619

SCHEMBL497619

CCCCCCCCCCCCCCCCCCNCCC(C)(C)[Si](OC)(OC)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
S1PR2 O95136 5/20 0.37
S1PR4 O95977 5/20 0.37
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 5/20 0.37
S1PR5 Q9H228 1/20 0.37
EPHX1 P07099 3/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 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
Hydrochloric Acid SCHEMBL9719607 0.98 ALDH1A1 (0.45) ALDH1A1TSHRS1PR2S1PR4S1PR1
Methoxymethane SCHEMBL18954805 0.73 TSHR (0.77) ALDH1A1TSHRS1PR2S1PR4S1PR1
Methoxymethane SCHEMBL2150128 0.73 TSHR (0.77) ALDH1A1TSHRS1PR2S1PR4S1PR1
Methoxymethane SCHEMBL2149695 0.73 TSHR (0.77) ALDH1A1TSHRS1PR2S1PR4S1PR1
Methoxymethane SCHEMBL2150575 0.73 TSHR (0.77) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL486995 0.73 TSHR (0.87) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL13912963 0.72 TSHR (0.65) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL23922980 0.71 TSHR (0.56) ALDH1A1TSHRS1PR2S1PR4S1PR1
Chloromethane SCHEMBL27565490 0.71 TSHR (0.81) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL23929263 0.71 TSHR (0.93) ALDH1A1TSHRS1PR2S1PR4S1PR1

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
US-8104502-B2 Drain water bacteriostatic structure for air conditioner DAIKIN INDUSTRIES, LTD. (JP) 2012-01-31 US disclosed
US-20110126917-A1 DRAIN WATER BACTERIOSTATIC STRUCTURE FOR AIR CONDITIONER DAIKIN INDUSTRIES, LTD. (JP) 2011-06-02 US disclosed
EP-1835236-A1 DRAIN WATER BACTERIOSTATIC STRUCTURE FOR AIR CONDITIONER Daikin Industries, Ltd. (JP) 2007-09-19 EP disclosed