SCHEMBL7006853

SCHEMBL7006853

CCOP(=O)(OCC)OCCC#N

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
CYP3A4 P08684 2/20 0.43
ACHE P22303 1/20 0.41
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARD Q03181 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL15977306 1.00 TSHR (0.56) TSHRCYP3A4ACHEALDH1A1TP53
SCHEMBL13105856 0.91 CYP3A4 (0.61) TSHRCYP3A4
SCHEMBL733409 0.89 ALDH1A1 (0.43) TSHRCYP3A4ALDH1A1TDP1
SCHEMBL10422583 0.88 TSHR (0.52) TSHRCYP3A4ACHEALDH1A1TP53
SCHEMBL17943797 0.87 CYP3A4 (0.48) TSHRCYP3A4ACHEALDH1A1MEN1
SCHEMBL16502557 0.86 TSHR (0.42) TSHRCYP3A4ACHE
SCHEMBL6847124 0.81 TSHR (0.62) TSHRACHETP53TDP1MEN1
SCHEMBL11907935 0.80 CYP3A4 (0.34) TSHRCYP3A4ALDH1A1TDP1
SCHEMBL2030636 0.79 ACHE (0.38) TSHRACHEALDH1A1TP53TDP1
SCHEMBL14582792 0.79 TSHR (0.45) TSHRCYP3A4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656433-A Thioisoprophorone bridge modified double-donor organic optical nonlinear chromophore and synthetic method and application thereof 广州大学 2022-06-24 CN claimed
CN-101654279-B Amphiphilic Dispersible Nano Titanium Dioxide Material IND TECH RES INST 2012-03-21 CN claimed
CN-101654279-A Amphiphilic Dispersible Nano Titanium Dioxide Material IND TECH RES INST 2010-02-24 CN claimed
CN-114656433-A Thioisoprophorone bridge modified double-donor organic optical nonlinear chromophore and synthetic method and application thereof 广州大学 2022-06-24 CN disclosed
US-9847549-B2 Electrolyte and rechargeable lithium battery including same SAMSUNG SDI CO., LTD. (KR) 2017-12-19 US disclosed
US-9847549-B2 Electrolyte and rechargeable lithium battery including same SAMSUNG SDI CO., LTD. (KR) 2017-12-19 US disclosed
US-20170237122-A1 ELECTROLYTE FOR LITHIUM BATTERY AND LITHIUM BATTERY INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2017-08-17 US disclosed
US-20140242453-A1 ELECTROLYTE AND RECHARGEABLE LITHIUM BATTERY INCLUDING SAME SAMSUNG SDI CO., LTD. (KR) 2014-08-28 US disclosed
US-20140242453-A1 ELECTROLYTE AND RECHARGEABLE LITHIUM BATTERY INCLUDING SAME SAMSUNG SDI CO., LTD. (KR) 2014-08-28 US disclosed
US-8445142-B2 Organic electrolytic solution and lithium battery employing the same SAMSUNG SDI CO., LTD. (KR) 2013-05-21 US disclosed
CN-101654279-B Amphiphilic Dispersible Nano Titanium Dioxide Material IND TECH RES INST 2012-03-21 CN disclosed
EP-0397697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4?. RORER INT OVERSEAS (US) 1990-11-22 EP disclosed
EP-0395697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4 RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-11-07 EP disclosed
US-4920130-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS RORER PHARAMCEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed
WO-1989004303-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed
WO-1989004304-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed
EP-0315399-A2 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-05-10 EP disclosed