Hexane

Hexane

SCHEMBL2866709

CCCCCC.O=C=NCCCCCCN=C=O

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.58
TSHR P16473 5/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
EPHX2 P34913 1/20 0.35
GSK3B P49841 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
GPR84 Q9NQS5 2/20 0.33
DNM1 Q05193 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 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
SCHEMBL10870593 1.00 NAAA (0.58) NAAATSHRTHRBMEN1KMT2A
SCHEMBL5571386 1.00 NAAA (0.58) NAAATSHRTHRBMEN1KMT2A
SCHEMBL5575642 1.00 NAAA (0.58) NAAATSHRTHRBMEN1KMT2A
SCHEMBL37419 1.00 NAAA (0.58) NAAATSHRTHRBMEN1KMT2A
SCHEMBL10791564 1.00 NAAA (0.58) NAAATSHRTHRBMEN1KMT2A
Nonane SCHEMBL3071312 1.00 NAAA (0.58) NAAATSHRTHRBMEN1KMT2A
SCHEMBL1493031 1.00 NAAA (0.58) NAAATSHRTHRBMEN1KMT2A
SCHEMBL15486455 1.00 NAAA (0.58) NAAATSHRTHRBMEN1KMT2A
SCHEMBL527174 1.00 NAAA (0.58) NAAATSHRTHRBMEN1KMT2A
SCHEMBL27220 1.00 NAAA (0.58) NAAATSHRTHRBMEN1KMT2A

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
CN-107111004-A UV-curable coating composition for obtaining improved abrasion resistance 埃西勒国际通用光学公司 2017-08-29 CN disclosed
EP-2871054-B1 LAMINATE MITSUI CHEMICALS INC (JP) 2017-04-05 EP disclosed
US-20150166751-A1 LAMINATE MITSUI CHEMICALS TOHCELLO, INC. (JP) 2015-06-18 US disclosed
EP-2871054-A1 LAMINATE Mitsui Chemicals, Inc. (JP) 2015-05-13 EP disclosed
US-7812530-B2 Flexible substrate and organic device using the same DAI NIPPON PRINTING CO., LTD. (JP) 2010-10-12 US disclosed
US-7488513-B2 Process for producing microcapsule enclosing electrophoretic particle dispersion, microcapsule enclosing electrophoretic particle dispersion and reversible display medium containing the same TOYO INK MFG. CO., LTD. (JP) 2009-02-10 US disclosed
US-20050236985-A1 Flexible substrate and organic device using the same DAI NIPPON PRINTING CO., LTD. (JP) 2005-10-27 US disclosed
US-20050179983-A1 Process for producing microcapsule enclosing electrophoretic particle dispersion, microcapsule enclosing electrophoretic particle dispersion and reversible display medium containing the same TOYO INK MFG. CO., LTD. (JP) 2005-08-18 US disclosed
US-4614792-A Anionic polymerization of lactam with alkaline earth metal compound catalyst, lactam compound activator and ester compound STAMICARBON B.V. (NL) 1986-09-30 US disclosed
US-4560704-A SILANE ANCUORING;ATTACHING LIGAUD TO MATRIX PURDUE RESEARCH FOUNDATION (US) 1985-12-24 US disclosed