SCHEMBL1678989

SCHEMBL1678989

C=CC(=O)OCCCCCCCCCCCBr

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.79
ALDH1A1 P00352 4/20 0.79
CYP3A4 P08684 2/20 0.79
HPGD P15428 1/20 0.59
TP53 P04637 3/20 0.54
HIF1A Q16665 3/20 0.54
HSD17B10 Q99714 1/20 0.54
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR2 Q8TDS4 3/20 0.39
ATM Q13315 1/20 0.38
HTT P42858 1/20 0.35
FAAH O00519 2/20 0.34

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
SCHEMBL4849412 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4851078 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2396351 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9330800 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12586916 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4852915 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4850582 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9305976 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4850920 0.98 TSHR (0.75) TSHRALDH1A1CYP3A4HPGDTP53
Trimethylammonium SCHEMBL20293734 0.93 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110358400-B Water-based quick-drying coil steel coating based on monodisperse polyacrylic resin and preparation method thereof 上海工程技术大学 2021-04-09 CN claimed
US-7459185-B2 Treatment of natural polymer based materials and the products based thereon COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 2008-12-02 US claimed
US-6830784-B2 Treating natural polymeric material with a modifying agent selected from coupling agents and multi-functional amine compounds; subjecting to solvent extraction and/or treatment with physical field and/or oxidation COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-12-14 US claimed
EP-1242516-B1 PREPARATION OF FUNCTIONAL POLYMERIC SURFACE COMMW SCIENT IND RES ORG (AU) 2004-08-25 EP claimed
EP-1253999-A4 TREATMENT OF NATURAL POLYMER BASED MATERIALS AND THE PRODUCTS BASED THEREON COMMW SCIENT IND RES ORG (AU) 2004-08-11 EP claimed
US-20040115354-A1 Apparatus for surface engineering COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-06-17 US claimed
US-6706320-B2 USING SOLUTION OF ADJUVANT AND SOLVENT; VAPORIZATION TO REMOVAL SOLVENT COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-03-16 US claimed
US-20030194504-A1 Preparation of functional polymeric surface COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-10-16 US claimed
US-20030157268-A1 Treatment of natural polymer based materials and the products based thereon COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-08-21 US claimed
EP-1253999-A1 TREATMENT OF NATURAL POLYMER BASED MATERIALS AND THE PRODUCTS BASED THEREON COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-11-06 EP claimed
EP-1242516-A1 PREPARATION OF FUNCTIONAL POLYMERIC SURFACE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-09-25 EP claimed
US-20020018860-A1 Method and apparatus for surface engineering COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-02-14 US claimed
WO-2002004552-A1 A PROCESS FOR MODIFYING THE SURFACE OF A SUBSTRATE CONTAINING A POLYMERIC MATERIAL BY MEANS OF VAPORISING THE SURFACE MODIFYING AGENT COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-01-17 WO claimed
WO-2001056756-A1 TREATMENT OF NATURAL POLYMER BASED MATERIALS AND THE PRODUCTS BASED THEREON COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-09 WO claimed
WO-2001029118-A1 PREPARATION OF FUNCTIONAL POLYMERIC SURFACE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-04-26 WO claimed
CN-115710272-B Vinyl-containing isoalloxazine derivative for enzyme biosensor and preparation method thereof 上海交通大学 2024-03-26 CN disclosed
CN-115710271-B Polymerizable vitamin B2 analogue and preparation method thereof 上海交通大学 2024-03-22 CN disclosed
EP-1025066-A2 MOLECULAR COMPOUNDS HAVING COMPLEMENTARY SURFACES TO TARGETS Alnis, LLC (US) 2000-08-09 EP disclosed
WO-1999019276-A2 MOLECULAR COMPOUNDS HAVING COMPLEMENTARY SURFACES TO TARGETS ALNIS, LLC (US) 1999-04-22 WO disclosed
US-4943617-A Liquid crystalline copolymer BASF AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed