SCHEMBL6896933

SCHEMBL6896933

CCCCCCCC/C=C\CCCCCCCCNCCC

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.59
PPARA Q07869 2/20 0.58
FAAH O00519 2/20 0.58
TRPV1 Q8NER1 2/20 0.58
EPHX1 P07099 1/20 0.48
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
EPHX2 P34913 5/20 0.47

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
SCHEMBL6903264 1.00 TSHR (0.59) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL9212841 1.00 TSHR (0.59) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL20017950 1.00 TSHR (0.59) TSHRALDH1A1PPARAFAAHTRPV1
Ammonia Solution, Strong SCHEMBL962398 0.98 ALDH1A1 (0.56) TSHRALDH1A1PPARAFAAHTRPV1
Dimethylamine SCHEMBL28274363 0.96 PPARA (0.55) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL27307433 0.95 FAAH (0.58) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL19245121 0.95 FAAH (0.58) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL20017953 0.95 PPARA (0.58) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL23117202 0.95 TSHR (0.65) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL9208641 0.95 TSHR (0.65) TSHRALDH1A1PPARAFAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101573145-A Biocidal composition and method for treating circulating water systems ARCH CHEM INC (US) 2009-11-04 CN claimed
US-6171521-B1 Zwitterionic water-soluble substituted imine corrosion inhibitors NALCO/EXXON ENERGY CHEMICALS, L.P. 2001-01-09 US claimed
US-5993693-A PREFERRED ZWITTERIONIC IMINES ARE THE REACTION PRODUCTS OF THE MICHAEL ADDITION OF ACRYLIC ACID TO AN IMINE. NALCO/EXXON ENERGY CHEMICALS, L.P. (US) 1999-11-30 US claimed
JP-55073789-A None JP disclosed
WO-2018138054-A1 ENCAPSULATED OLIGOMERIC BLOCKED ISOCYANATES AGFA NV (BE) 2018-08-02 WO disclosed
EP-3351603-A1 ENCAPSULATED OLIGOMERIC BLOCKED ISOCYANATES AGFA NV (BE) 2018-07-25 EP disclosed
CN-101573145-A Biocidal composition and method for treating circulating water systems ARCH CHEM INC (US) 2009-11-04 CN disclosed
EP-1199331-B1 Polymaleimide-containing rubber composition and tire BRIDGESTONE CORP (JP) 2004-03-17 EP disclosed
EP-1081187-B1 Rubber composition containing silica or silicate and salt of an amine BRIDGESTONE CORP (JP) 2004-02-18 EP disclosed
US-6566449-B2 Obtained from polymerized maleic acid and citraconic acid with methylene polyaniline; elasticity; performance BRIDGESTONE CORPORATION (JP) 2003-05-20 US disclosed
US-6506849-B1 Natural or synthetic rubber; maleimide compound; and polyaniline, hydrazide and/or amine compound; workability, elasticity BRIDGESTONE CORPORATION (JP) 2003-01-14 US disclosed
EP-1199331-A1 Polymaleimide-containing rubber composition and tire BRIDGESTONE CORPORATION (JP) 2002-04-24 EP disclosed
US-6355710-B1 MIXTURE WITH FILLER AND AMINE SALT BRIDGESTONE CORPORATION (JP) 2002-03-12 US disclosed
EP-1083199-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2001-03-14 EP disclosed
EP-1081187-A2 Rubber composition containing silica or silicate and salt of an amine BRIDGESTONE CORPORATION (JP) 2001-03-07 EP disclosed
US-6171521-B1 Zwitterionic water-soluble substituted imine corrosion inhibitors NALCO/EXXON ENERGY CHEMICALS, L.P. 2001-01-09 US disclosed
EP-0133375-B1 COMPRESSION IGNITION FUELS, COMPOSITIONS AND ADDITIVE PACKAGES FOR THE PRODUCTION THEREOF AND THE USE THEREOF ETHYL CORPORATION (US) 1988-05-25 EP disclosed
US-4670021-A REACTION PRODUCT OF MALONIC ACID, DODECYL ALDEHYDE AND TALLOW AMINE TEXACO INC. (US) 1987-06-02 US disclosed
JP-S5573789-A METHOD OF PREVENTING STRANGE NOISE FROM CYLINDER IN HYDRAULIC MECHANISM NIPPON OIL CO LTD 1980-06-03 JP disclosed
JP-S05573789-A 0001-01-01 JP disclosed