Ethane

Ethane

SCHEMBL991925

CC.O=[N+]([O-])c1cccc(Br)c1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.64
LMNA P02545 2/20 0.64
ACHE P22303 1/20 0.59
ALDH1A1 P00352 6/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX15 P16050 1/20 0.53
HSP90AA1 P07900 1/20 0.52
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TP53 P04637 1/20 0.48
NFE2L2 Q16236 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
KEAP1 Q14145 1/20 0.48
SMN1; SMN2 Q16637 1/20 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
SCHEMBL85551 0.96 TSHR (0.70) TSHRLMNAACHEALDH1A1TDP1
SCHEMBL29899862 0.96 TSHR (0.70) TSHRLMNAACHEALDH1A1TDP1
SCHEMBL25435523 0.96 TSHR (0.70) TSHRLMNAACHEALDH1A1TDP1
Fluoride SCHEMBL6141214 0.94 TSHR (0.67) TSHRLMNAACHEALDH1A1TDP1
Bromide SCHEMBL4031266 0.94 TSHR (0.67) TSHRLMNAACHEALDH1A1TDP1
SCHEMBL19025580 0.94 TSHR (0.67) TSHRLMNAACHEALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL27659899 0.94 TSHR (0.67) TSHRLMNAACHEALDH1A1TDP1
SCHEMBL27950091 0.94 TSHR (0.67) TSHRLMNAACHEALDH1A1TDP1
Formaldehyde SCHEMBL27686649 0.92 TSHR (0.64) TSHRLMNAACHEALDH1A1TDP1
SCHEMBL28053869 0.86 TSHR (0.57) TSHRLMNAACHEALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
US-8828908-B2 Herbicidally active bicyclic 1,3-dione compounds SYNGENTA LIMITED (GB) 2014-09-09 US disclosed
CN-102471206-B Novel herbicides SYNGENTA LTD 2014-08-20 CN disclosed
EP-2102181-B1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 EP disclosed
US-8741806-B2 Herbicides SYNGENTA LIMITED (GB) 2014-06-03 US disclosed
US-8680012-B2 4-phenyl-pyrane-3,5-diones,4-phenyl-thiopyrane-3,6-diones and cyclohexanetriones as novel herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-03-25 US disclosed
US-20140005389-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2014-01-02 US disclosed
CN-101679177-B Herbicidally active bicyclic 1,3-dione compounds SYNGENTA LTD 2013-08-21 CN disclosed
US-20120190545-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-26 US disclosed
EP-2454224-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-05-23 EP disclosed
CN-102471206-A Novel herbicides SYNGENTA LTD 2012-05-23 CN disclosed
WO-2011006543-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2011-01-20 WO disclosed
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
US-20100210466-A1 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-08-19 US disclosed
EP-2155645-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS Syngenta Limited (GB) 2010-02-24 EP disclosed
EP-2102181-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES Syngeta Participations AG (CH) 2009-09-23 EP disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 WO disclosed
WO-2008071405-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100210466-A1 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES DDT, HPD, CYP4B1 TSHR 214/4885LMNA 4842/4885ACHE 746/4885
US-20120190545-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 TSHR 1434/4885LMNA 4671/4885ACHE 23/4885
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS DDT, CYP1B1, CYP1A1 TSHR 2784/4885LMNA 3240/4885ACHE 14/4885
US-20140005389-A1 NOVEL HERBICIDES DDT, HPD, HCAR3 TSHR 385/4885LMNA 4849/4885ACHE 340/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.