SCHEMBL4881097

SCHEMBL4881097

C=CC(=O)OC(C=C)[n+]1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL28739928 0.78 TSHR (0.37) ALDH1A1TSHRTHRB
SCHEMBL906241 0.70
SCHEMBL23533662 0.67 THRB (0.39) ALDH1A1TSHRTHRB
Bromide SCHEMBL23121508 0.66 THRB (0.39) ALDH1A1TSHRTHRB
Bromide SCHEMBL23853727 0.66 THRB (0.39) ALDH1A1TSHRTHRB
Hydrochloric Acid SCHEMBL21694089 0.66 THRB (0.39) ALDH1A1TSHRTHRB
SCHEMBL7212969 0.66 THRB (0.35) ALDH1A1CYP3A4TSHRTHRB
Hydrochloric Acid SCHEMBL9656022 0.64 THRB (0.34) ALDH1A1CYP3A4TSHRTHRB
Water SCHEMBL4556415 0.64 FNTA (0.30)
SCHEMBL277923 0.64 TSHR (0.39) ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6695076-B2 Method of coring crustal core sample, and antimicrobial polymeric gel and gel material used in the method JAPAN MARINE SCIENCE & TECHNOLOGY CENTER (JP) 2004-02-24 US claimed
US-20020139583-A1 Method of coring crustal core sample, and antimicrobial polymeric gel and gel material used in the method JAPAN MARINE SCIENCE & TECHNOLOGY CENTER (JP) 2002-10-03 US claimed
US-7343984-B2 Core sample collector equipped with sterilizing agent-applying mechanism and method of taking core sample INDEPENDENT ADMINISTRATIVE INSTITUTION, JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECHNOLOGY (JP) 2008-03-18 US disclosed
US-7308951-B2 Method of coring a crustal core sample and flow-able coating material for coring a crustal core sample INDEPENDENT ADMINISTRATIVE INSTITUTION, JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECHNOLOGY (JP) 2007-12-18 US disclosed
US-7013993-B2 Method of coring crustal core sample, and antimicrobial polymeric gel and gel material used in the method INDEPENDENT ADMINISTRATIVE INSTITUTION, JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECHNOLOGY (JP) 2006-03-21 US disclosed
US-20050183886-A1 Method of coring a crustal core sample and flow-able coating material for coring a crustal core sample INDEPENDENT ADMINISTRATIVE INSTITUTION JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECHNOLOGY (JP) 2005-08-25 US disclosed
US-20050106751-A1 Piston corer comprising bactericidal agents for use in isolating subsurface microorganisms JAPAN MARINE SCIENCE & TECHNOLOGY CENTER (JP) 2005-05-19 US disclosed
US-6695076-B2 Method of coring crustal core sample, and antimicrobial polymeric gel and gel material used in the method JAPAN MARINE SCIENCE & TECHNOLOGY CENTER (JP) 2004-02-24 US disclosed
US-20040026127-A1 Method of coring crustal core sample, and antimicrobial polymeric gel and gel material used in the method JAPAN MARINE SCIENCE & TECHNOLOGY CENTER (JP) 2004-02-12 US disclosed
US-20020139583-A1 Method of coring crustal core sample, and antimicrobial polymeric gel and gel material used in the method JAPAN MARINE SCIENCE & TECHNOLOGY CENTER (JP) 2002-10-03 US disclosed