SCHEMBL7060705

SCHEMBL7060705

C=CC(=O)OCCC(C[N+](C)(C)C)OP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 2/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1260408 0.89 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17923899 0.86 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3651832 0.86 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3884348 0.84 SMPD1 (0.30)
SCHEMBL3883028 0.84 SMPD1 (0.30)
SCHEMBL11865816 0.81 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2321002 0.81 SMPD1 (0.30)
SCHEMBL176508 0.80 THRB (0.38) TSHRALDH1A1THRBSMN1; SMN2
SCHEMBL2321681 0.78 TDP1 (0.34)
Allylamine SCHEMBL28314014 0.78 THRB (0.33) TSHRTHRBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105517585-B Bioactivity coatings 生物相互作用有限公司 2019-11-22 CN claimed
CN-104678462-B Silicone hydrogel lens with crosslinking hydrophilic coating 诺华股份有限公司 2019-11-05 CN claimed
CN-110051886-A The medical device and method that antithrombotic generates 柯惠有限合伙公司 2019-07-26 CN claimed
CN-108710221-A Ophthalmic lens and method for producing same 明基材料股份有限公司 2018-10-26 CN claimed
CN-103910900-B Surface modifying method and the elastomer of surface modification 住友橡胶工业株式会社 2017-03-01 CN claimed
CN-106456834-A Prosthesis for in vivo insertion, coated with cross-linked polyphosphorylcholine 首尔大学校产学协力团 2017-02-22 CN claimed
CN-114437128-A Choline phosphate modified paclitaxel medicine and preparation method and application thereof 中国科学院长春应用化学研究所 2022-05-06 CN disclosed
CN-104678462-B Silicone hydrogel lens with crosslinking hydrophilic coating 诺华股份有限公司 2019-11-05 CN disclosed
CN-110114856-A Rinse agent composition for silicon wafer 花王株式会社 2019-08-09 CN disclosed
CN-109312246-A Slip imparting agent and slip adding method 日油株式会社 2019-02-05 CN disclosed
CN-105334640-B Silicone hydrogel lenses with rich water surface 诺华股份有限公司 2018-12-28 CN disclosed
CN-108948282-A Water-soluble silicon high polymer, silicon hydrogel composition, silicon hydrogel lens and manufacturing method 晶硕光学股份有限公司 2018-12-07 CN disclosed
CN-107661235-A Oil type cosmetic in water 富士胶片株式会社 2018-02-06 CN disclosed
CN-106474568-A Surface modification of metals and the method for modifying of metal surface 住友橡胶工业株式会社 2017-03-08 CN disclosed
CN-106456834-A Prosthesis for in vivo insertion, coated with cross-linked polyphosphorylcholine 首尔大学校产学协力团 2017-02-22 CN disclosed
CN-106397822-A SURFACE MODIFICATION METHOD AND SURFACE-MODIFIED BODY 住友橡胶工业株式会社 2017-02-15 CN disclosed
CN-104349744-B Sliding member and method for manufacturing same 京瓷医疗株式会社 2016-09-07 CN disclosed
EP-0823458-B1 POLYMERIC MATERIAL, MEDICAL MATERIAL AND LIQUID POLYMER COMPOSITION NOF CORP (JP) 2003-05-14 EP disclosed
US-5977257-A Polymer material, medical material and liquid high molecular composition NOF CORPORATION (JP) 1999-11-02 US disclosed
EP-0823458-A1 POLYMERIC MATERIAL, MEDICAL MATERIAL AND LIQUID POLYMER COMPOSITION NOF CORPORATION (JP) 1998-02-11 EP disclosed