SCHEMBL6962867

SCHEMBL6962867

C=CC(C)OCC(=O)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL11890489 0.82
SCHEMBL15136486 0.81 ALOX15 (0.36)
SCHEMBL18598077 0.77 BCHE (0.34)
SCHEMBL8057241 0.76 TSHR (0.37)
SCHEMBL175334 0.74
SCHEMBL13656483 0.74
SCHEMBL11913740 0.74 CYP2D6 (0.35)
SCHEMBL11886485 0.74 CYP2D6 (0.35)
SCHEMBL692337 0.73
SCHEMBL11913741 0.72 SLC6A2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062773-A1 4,4a,5,7-TETRAHYDRO-3H-FURO[3,4-b]PYRIDINYL COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-27 US disclosed
CN-109890828-A 4,4a,5, 7-tetrahydro-3H-furo [3,4-b ] pyridinyl compounds 詹森药业有限公司 2019-06-14 CN disclosed
EP-2626374-B1 DIENE-BASED CARBOXYLATE ANION AND SALT THEREOF, AND POLYMERIZABLE OR CURABLE COMPOSITION THEREOF NIPPON CATALYTIC CHEM IND (JP) 2019-05-15 EP disclosed
EP-2665716-B1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2017-03-08 EP disclosed
US-9499466-B2 Diene-based carboxylate anion and salt thereof, and polymerizable or curable composition thereof NIPPON SHOKUBAI CO., LTD. (JP) 2016-11-22 US disclosed
US-8962858-B2 Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-24 US disclosed
US-20140309429-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2014-10-16 US disclosed
US-8822455-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-02 US disclosed
US-8802871-B2 Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-08-12 US disclosed
US-20140011802-A1 Fused Aminodihydrothiazine Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-01-09 US disclosed
US-20130197123-A1 DIENE-BASED CARBOXYLATE ANION AND SALT THEREOF, AND POLYMERIZABLE OR CURABLE COMPOSITION THEREOF NIPPON SHOKUBAI CO., LTD. (JP) 2013-08-01 US disclosed
US-20130197244-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-01 US disclosed
US-8426584-B2 Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-23 US disclosed
WO-2012100179-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
US-20120190848-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
WO-2012093148-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2012-07-12 WO disclosed
EP-0970067-B1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES WITH OXYGEN LINK AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2003-07-02 EP disclosed
US-6071954-A AS NON-STEROIDAL ANTIINFLAMMATROY AGENT FOR TREATING INFLAMMATION; NONTOXIC MERK FROSST CANADA, INC. (CA) 2000-06-06 US disclosed
EP-0970067-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES WITH OXYGEN LINK AS COX-2 INHIBITORS Merck Frosst Canada &amp; Co. (CA) 2000-01-12 EP disclosed
WO-1998041516-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES WITH OXYGEN LINK AS COX-2 INHIBITORS MERCK FROSST CANADA & CO. (CA) 1998-09-24 WO disclosed