SCHEMBL1031463

SCHEMBL1031463

C=C(C(=O)OCCCN)C(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CYP1A2 P05177 1/20 0.36
CPB2 Q96IY4 2/20 0.36
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
THRB P10828 1/20 0.34
HTR2C P28335 1/20 0.33
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1033070 0.95 TSHR (0.43) TSHRCYP1A2CPB2CA1CA2
SCHEMBL11762987 0.93 TSHR (0.46) TSHRCYP1A2CPB2CA1CA2
SCHEMBL19207247 0.93 TSHR (0.46) TSHRCYP1A2CPB2CA1CA2
SCHEMBL5052486 0.93 TSHR (0.46) TSHRCYP1A2CPB2CA1CA2
SCHEMBL19207245 0.93 TSHR (0.46) TSHRCYP1A2CPB2CA1CA2
SCHEMBL19207301 0.93 TSHR (0.46) TSHRCYP1A2CPB2CA1CA2
SCHEMBL124310 0.89 THRB (0.36) TSHRCYP1A2CPB2CA1CA2
Iodomethane SCHEMBL716674 0.86 THRB (0.34) TSHRCA1CA2THRB
SCHEMBL11139716 0.82 TSHR (0.62) TSHRCA1CA2HTR2CALDH1A1
SCHEMBL29117856 0.82 TSHR (0.62) TSHRCA1CA2HTR2CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999002610-A1 UV CURABLE COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1999-01-21 WO claimed
EP-0628658-A1 Cellulosic, modified lignin and cationic polymer composition and process for making improved paper or paperboard CALGON CORPORATION (US) 1994-12-14 EP claimed
CN-109071991-A COATING FILM, COMPOSITION FOR COATING FILM, FILM-FORMING AGENT, ARTICLE HAVING COATING FILM, AND METHOD FOR FORMING COATING FILM 大金工业株式会社 2018-12-21 CN disclosed
EP-1765276-B1 SHATTER RESISTANT ENCAPSULATED COLORANTS FOR NATURAL SKIN APPEARANCE BASF SE (DE) 2013-11-06 EP disclosed
EP-2276797-B1 POLYMER ENCAPSULATED COLOURANTS BY SPRAY DRYING BASF SE (DE) 2012-11-21 EP disclosed
US-20120149265-A1 PARTICULATE COMPOSITION BASF SE (DE) 2012-06-14 US disclosed
EP-2449050-A1 PARTICULATE COMPOSITION BASF SE (DE) 2012-05-09 EP disclosed
US-20110147965-A1 POLYMER ENCAPSULATED COLOURANTS BY SPRAY DRYING BASF SE (DE) 2011-06-23 US disclosed
US-7947294-B2 Shatter resistant encapsulated colorants for natural skin appearance BASF SE (DE) 2011-05-24 US disclosed
EP-2276797-A1 POLYMER ENCAPSULATED COLOURANTS BY SPRAY DRYING BASF SE (DE) 2011-01-26 EP disclosed
WO-2011000688-A1 PARTICULATE COMPOSITION BASF SE (DE) 2011-01-06 WO disclosed
US-5968316-A ALKALINE FINISH PAPER WITH ZEOLITE TYPE A AND WATER DISPERSION DEVMAR GROUP LIMITED 1999-10-19 US disclosed
WO-1999002610-A1 UV CURABLE COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1999-01-21 WO disclosed
US-5647956-A Cellulosic, modified lignin and cationic polymer composition and process for making improved paper or paperboard CALGON CORPORATION (US) 1997-07-15 US disclosed
US-5567277-A IMPROVING DRAINAGE, RETENTION, FORMATION BY MIXING A BLEND OF A HIGH MOLECULAR WEIGHT COPOLYMER COMPRISING (METH-) ACRYLOYLOXY- OR (METH-)ACRYLAMIDO ALKYL TRIMETHYL AMMONIUM CHLORIDE AND ACRYLAMIDE CALGON CORPORATION (US) 1996-10-22 US disclosed
US-5501772-A ACRYLAMIDE AND QUATERNARY AMMONIUM ACRYLATE CALGON CORPORATION (US) 1996-03-26 US disclosed
US-5501773-A IMPROVED DRAINAGE, RETENTION, FORMATION, SULFONATED LIGNIN CALGON CORPORATION (US) 1996-03-26 US disclosed
EP-0628658-A1 Cellulosic, modified lignin and cationic polymer composition and process for making improved paper or paperboard CALGON CORPORATION (US) 1994-12-14 EP disclosed
US-4464436-A CURABLE PROTECTIVE UNDERCOATINGS FOR THERMOPLASTIC MOLDINGS COATED WITH THIN METAL FILM DESOTO, INC. (US) 1984-08-07 US disclosed
US-4020216-A Coating composition for flexible substrates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-26 US disclosed