SCHEMBL2944691

SCHEMBL2944691

C=C(C)C(=O)OCCOCCC(C[N+](C)(C)C)OP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
HRH1 P35367 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL176508 0.92 THRB (0.38) THRBTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL14989008 0.90 THRB (0.42) THRBTSHRLMNASMN1; SMN2MEN1
Methacrylic Acid SCHEMBL3884365 0.88 SMN1; SMN2 (0.36) THRBTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL541861 0.87 TSHR (0.42) THRBTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL541372 0.86 TSHR (0.44) THRBTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL28251339 0.85 TSHR (0.48) THRBTSHRLMNAALDH1A1MEN1
SCHEMBL541808 0.85 TSHR (0.47) THRBTSHRLMNASMN1; SMN2
SCHEMBL541106 0.85 TSHR (0.47) THRBTSHRLMNASMN1; SMN2
SCHEMBL28062034 0.85 TSHR (0.47) THRBTSHRLMNASMN1; SMN2
Allylamine SCHEMBL28314014 0.84 THRB (0.33) THRBTSHRLMNASMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10976473-B2 Method for producing medical device and medical device JSR CORPORATION (JP) 2021-04-13 US disclosed
US-10774165-B2 Polymer composition, article, medical device, article production method, and cell cluster production method JSR CORPORATION (JP) 2020-09-15 US disclosed
EP-3329943-B1 METHOD FOR PRODUCING MEDICAL DEVICE AND MEDICAL DEVICE JSR CORP (JP) 2020-07-08 EP disclosed
US-10640732-B2 Lens solution, contact lens, and production method therefor JSR CORPORATION (JP) 2020-05-05 US disclosed
US-20200063065-A1 LENS SOLUTION, CONTACT LENS, AND PRODUCTION METHOD THEREFOR JSR CORP (JP) 2020-02-27 US disclosed
EP-3104216-B1 LENS SOLUTION, CONTACT LENS, AND PRODUCTION METHOD THEREFOR JSR CORP (JP) 2019-11-13 EP disclosed
US-20180356561-A1 GEL, GEL MANUFACTURING METHOD, LENS, CONTACT LENS SURFACE MODIFIER, POLYMERIZABLE COMPOSITION, AND POLYMER JSR CORPORATION (JP) 2018-12-13 US disclosed
US-20180223024-A1 POLYMER COMPOSITION, ARTICLE, MEDICAL DEVICE, ARTICLE PRODUCTION METHOD, AND CELL CLUSTER PRODUCTION METHOD JSR CORPORATION (JP) 2018-08-09 US disclosed
US-20180217294-A1 METHOD FOR PRODUCING MEDICAL DEVICE AND MEDICAL DEVICE JSR CORPORATION (JP) 2018-08-02 US disclosed
EP-3329943-A1 METHOD FOR PRODUCING MEDICAL DEVICE AND MEDICAL DEVICE JSR Corporation (JP) 2018-06-06 EP disclosed
US-20170058237-A1 LENS SOLUTION, CONTACT LENS, AND PRODUCTION METHOD THEREFOR JRS CORPORATION (JP) 2017-03-02 US disclosed
EP-3104216-A1 LENS SOLUTION, CONTACT LENS, AND PRODUCTION METHOD THEREFOR JSR Corporation (JP) 2016-12-14 EP disclosed
US-7759412-B2 Tire puncture sealant THE YOKOHAMA RUBBER CO., LTD. (JP) 2010-07-20 US disclosed
US-20100152322-A1 TIRE PUNCTURE SEALANT THE YOKOHAMA RUBBER CO., LTD. (JP) 2010-06-17 US disclosed
US-20100152323-A1 TIRE PUNCTURE SEALANT THE YOKOHAMA RUBBER CO., LTD. (JP) 2010-06-17 US disclosed
US-20070203260-A1 TIRE PUNCTURE SEALANT THE YOKOHAMA RUBBER CO., LTD. (JP) 2007-08-30 US disclosed
EP-1825991-A2 Tire puncture sealant THE YOKOHAMA RUBBER CO., LTD. (JP) 2007-08-29 EP disclosed