SCHEMBL68972

SCHEMBL68972

C=CCCCCN1C(C)(C)CCCC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL7689805 0.98 TSHR (0.39) TSHRALDH1A1SIGMAR1
SCHEMBL8158086 0.94 TSHR (0.34) TSHRALDH1A1SIGMAR1
SCHEMBL69489 0.86 TSHR (0.31) TSHR
SCHEMBL10170322 0.83 TSHR (0.35) TSHR
SCHEMBL8002541 0.83 USP2 (0.39) TSHRALDH1A1SIGMAR1
SCHEMBL10170323 0.81 TSHR (0.34) TSHR
SCHEMBL10171050 0.81 TSHR (0.34) TSHR
SCHEMBL10171052 0.81 TSHR (0.34) TSHR
SCHEMBL898351 0.78 TSHR (0.31) TSHR
SCHEMBL8582712 0.77 ALDH1A1 (0.30) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070998-B1 Inkjet recording ink composition and inkjet recording method FUJIFILM CORP (JP) 2015-04-08 EP disclosed
US-8128843-B2 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8128843-B2 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8092869-B2 Ink composition for ink jet recording and method for ink jet recording FUJIFILM CORPORATION (JP) 2012-01-10 US disclosed
US-8092869-B2 Ink composition for ink jet recording and method for ink jet recording FUJIFILM CORPORATION (JP) 2012-01-10 US disclosed
EP-2085439-A1 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM Corporation (JP) 2009-08-05 EP disclosed
US-20090186163-A1 PHOTOCURABLE COMPOSITION, PHOTOCURABLE INK COMPOSITION, PROCESS FOR PRODUCING PHOTOCURED MATERIAL, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-07-23 US disclosed
US-20090186163-A1 PHOTOCURABLE COMPOSITION, PHOTOCURABLE INK COMPOSITION, PROCESS FOR PRODUCING PHOTOCURED MATERIAL, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-07-23 US disclosed
US-20090074982-A1 INK COMPOSITION FOR INK JET RECORDING AND METHOD FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed
US-20090074982-A1 INK COMPOSITION FOR INK JET RECORDING AND METHOD FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed
EP-1927477-B1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM CORP (JP) 2009-03-18 EP disclosed
US-20080131618-A1 INK COMPOSITION FOR INKJET-RECORDING AND METHOD FOR INKJET-RECORDING FUJIFILM CORPORATION (JP) 2008-06-05 US disclosed
US-20080131618-A1 INK COMPOSITION FOR INKJET-RECORDING AND METHOD FOR INKJET-RECORDING FUJIFILM CORPORATION (JP) 2008-06-05 US disclosed
EP-1927477-A1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM Corporation (JP) 2008-06-04 EP disclosed
US-5856491-A REACTING SECONDARY AMINE WITH TERMINALLY UNSATURATED ELECTROPHILIC COMPOUND IN PRESENCE OF N-METHYLPYRROLIDINONE SOLVENT ARISTECH CHEMICAL CORP. (US) 1999-01-05 US disclosed