SCHEMBL908444

SCHEMBL908444

[CH]1CC2=C(C=CCC2)S1

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
SCHEMBL8227866 0.64
SCHEMBL6628824 0.62
SCHEMBL13833805 0.60
SCHEMBL8663161 0.60 ALDH1A1 (0.32)
SCHEMBL9039838 0.60
SCHEMBL12521020 0.59
SCHEMBL3891573 0.59
SCHEMBL3047023 0.58
SCHEMBL17968444 0.58
SCHEMBL313389 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US claimed
CN-107074801-B Aryl and arylalkyl substituted pyrazolyl and pyrimidinyl tricyclenones as antioxidant inflammatory modulators 里亚塔医药公司 2021-11-05 CN disclosed
EP-3097089-B1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS INC (US) 2021-02-24 EP disclosed
EP-3097089-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS AbbVie Inc. (US) 2016-11-30 EP disclosed
US-9464082-B2 Aryl and arylalkyl substituted pyrazolyl and pyrimidinyl tricyclic enones as antioxidant inflammation modulators ABBVIE INC. (US) 2016-10-11 US disclosed
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2892910-B1 GLYCYRRHETINIC ACID DERIVATIVES WITH ANTI-INFLAMMATORY ACTIVITY ABBVIE INC (US) 2016-09-07 EP disclosed
US-20150225397-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. 2015-08-13 US disclosed
WO-2015112792-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS ABBVIE INC. (US) 2015-07-30 WO disclosed
EP-2892910-A2 GLYCYRRHETINIC ACID DERIVATIVES WITH ANTI-INFLAMMATORY ACTIVITY AbbVie Inc. (US) 2015-07-15 EP disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP disclosed
US-20080306272-A1 ONE-POT METHODS FOR PREPARING CINNAMIDE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-11 US disclosed
EP-1992618-A1 POLYCYCLIC CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-11-19 EP disclosed
EP-1950211-A1 PROCESS FOR PRODUCTION OF CINNAMAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-07-30 EP disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
US-20070219181-A1 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. 2007-09-20 US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 US disclosed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed