SCHEMBL27399191

SCHEMBL27399191

C=C(C)C(=O)OC(CC)OP(=O)(O)OCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
LPAR3 Q9UBY5 6/20 0.44
LPAR2 Q9HBW0 5/20 0.44
LPAR1 Q92633 2/20 0.44
PLA2G2C Q5R387 1/20 0.39
SMPD1 P17405 3/20 0.38
P2RY10 O00398 5/20 0.37
GPR34 Q9UPC5 2/20 0.36
LPAR5 Q9H1C0 1/20 0.36

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
SCHEMBL28239284 1.00 TSHR (0.48) TSHRLPAR3LPAR2LPAR1PLA2G2C
SCHEMBL28276962 1.00 TSHR (0.48) TSHRLPAR3LPAR2LPAR1PLA2G2C
SCHEMBL28239276 0.99 TSHR (0.47) TSHRLPAR3LPAR2LPAR1PLA2G2C
SCHEMBL28239282 0.97 TSHR (0.44) TSHRLPAR3LPAR2LPAR1PLA2G2C
SCHEMBL28186892 0.95 TSHR (0.40) TSHRLPAR3LPAR2LPAR1PLA2G2C
SCHEMBL28240287 0.93 TSHR (0.39) TSHRLPAR3LPAR2LPAR1PLA2G2C
SCHEMBL27898159 0.83 THRB (0.34) TSHR
SCHEMBL2059970 0.83 TSHR (0.36) TSHRSMPD1
Phosphoric Acid SCHEMBL28232078 0.82 TSHR (0.51) TSHRLPAR3LPAR2LPAR1SMPD1
Ethylene SCHEMBL28870955 0.82 THRB (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103655207-B Gear division binding agent that medicine carrying mesoporous silicon oxide strengthens and preparation method thereof Shanghai National Engineering Research Center for Nanotechnology Co., Ltd. (CN) 2016-05-25 CN claimed
CN-1073407-C Non-mixing type oral cavity binder HUAXI MEDICAL UNIV (CN) 2001-10-24 CN claimed
CN-1146332-A Non-mixing type oral cavity binder HUAXI MEDICAL UNIV (CN) 1997-04-02 CN claimed
CN-103655207-B Gear division binding agent that medicine carrying mesoporous silicon oxide strengthens and preparation method thereof Shanghai National Engineering Research Center for Nanotechnology Co., Ltd. (CN) 2016-05-25 CN disclosed
CN-1073407-C Non-mixing type oral cavity binder HUAXI MEDICAL UNIV (CN) 2001-10-24 CN disclosed
CN-1146332-A Non-mixing type oral cavity binder HUAXI MEDICAL UNIV (CN) 1997-04-02 CN disclosed