SCHEMBL9939735

SCHEMBL9939735

C=C(C)OC(C)(C)C(C)(C)O.OBO

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
SCHEMBL28177105 0.92
Boric Acid SCHEMBL28113374 0.85
SCHEMBL1562475 0.68 ALDH1A1 (0.44)
SCHEMBL9939732 0.67
SCHEMBL471023 0.66
SCHEMBL19231783 0.65
SCHEMBL615411 0.65
SCHEMBL194318 0.64 THRB (0.43)
SCHEMBL22470611 0.64 THRB (0.43)
SCHEMBL787220 0.64 THRB (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814338-B2 Pyrazolyl and pyrimidinyl tricyclic enones as antioxidant inflammation modulators REATA PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230060178-A1 ORGANOBORANE STRATEGY FOR POLYMERS BEARING LACTONE, ESTER, AND ALCOHOL FUNCTIONALITY NATIONAL SCIENCE FOUNDATION 2023-03-02 US disclosed
US-11591314-B2 Process for preparing tetrahydrocarbazole carboxamide compound BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-28 US disclosed
US-20220281807-A1 PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. (US) 2022-09-08 US disclosed
US-11192852-B2 Pyrazolyl and pyrimidinyl tricyclic enones as antioxidant inflammation modulators REATA PHARMACEUTICALS, INC. (US) 2021-12-07 US disclosed
WO-2021113344-A1 ORGANOBORANE STRATEGY FOR POLYMERS BEARING LACTONE, ESTER, AND ALCOHOL FUNCTIONALITY THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-10 WO disclosed
US-20210078980-A1 PROCESS FOR PREPARING TETRAHYDROCARBAZOLE CARBOXAMIDE COMPOUND BRISTOL MYERS SQUIBB CO (US) 2021-03-18 US disclosed
US-10875843-B2 Process for preparing tetrahydrocarbazole carboxamide compound BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-29 US disclosed
EP-3558977-B1 PROCESS FOR PREPARING TETRAHYDROCARBAZOLE CARBOXAMIDE COMPOUND BRISTOL MYERS SQUIBB CO (US) 2020-10-28 EP disclosed
US-20200207706-A1 PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. (US) 2020-07-02 US disclosed
WO-2018118830-A1 PROCESS FOR PREPARING TETRAHYDROCARBAZOLE CARBOXAMIDE COMPOUND BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-28 WO disclosed
US-9884809-B2 Pyrazolyl and pyrimidinyl tricyclic enones as antioxidant inflammation modulators REATA PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
EP-2651902-B1 PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS INC (US) 2017-11-08 EP disclosed
US-20160130220-A1 PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. (US) 2016-05-12 US disclosed
US-9174941-B2 Pyrazolyl and pyrimidinyl tricyclic enones as antioxidant inflammation modulators REATA PHARMACEUTICALS, INC. (US) 2015-11-03 US disclosed
US-20140051739-A1 PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. 2014-02-20 US disclosed
EP-2651902-A2 PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS Reata Pharmaceuticals, Inc. (US) 2013-10-23 EP disclosed
US-8513436-B2 Pyrazolyl and pyrimidinyl tricyclic enones as antioxidant inflammation modulators REATA PHARMACEUTICALS, INC. (US) 2013-08-20 US disclosed
US-20120196880-A1 PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. 2012-08-02 US disclosed
WO-2012083306-A2 PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. (US) 2012-06-21 WO disclosed