⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL48208 | 0.75 | — | — | |
| SCHEMBL16611371 | 0.75 | — | — | |
| SCHEMBL3718881 | 0.73 | — | — | |
| SCHEMBL2870199 | 0.73 | — | — | |
| SCHEMBL27252944 | 0.72 | CA2 (0.41) | — | |
| SCHEMBL3043384 | 0.72 | POLB (0.44) | — | |
| SCHEMBL1447226 | 0.71 | — | — | |
| SCHEMBL4464563 | 0.71 | — | — | |
| SCHEMBL1259453 | 0.71 | — | — | |
| SCHEMBL31426 | 0.69 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114377125-A | Dosing regimens for MAdCAM antagonists | 辉瑞公司 | 2022-04-22 | — | — | CN | disclosed |
| WO-2016201225-A1 | ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE | LYCERA CORPORATION (US) | 2016-12-15 | — | — | WO | disclosed |
| US-20120289501-A1 | Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls | NOVARTIS AG (CH) | 2012-11-15 | — | — | US | disclosed |
| EP-2504339-A1 | BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS | Novartis AG (CH) | 2012-10-03 | — | — | EP | disclosed |
| US-8003663-B2 | N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-4-({8-[(2-hydroxyethyl)(methyl)amino]octanoyl}amino)benzamide; phosphodiesterase inhibitor; antiinflammatory, antiallergenic agent; chronic obstructive pulmonary disease (COPD), asthma, or rhinitis | GLAXO GROUP LIMITED (GB) | 2011-08-23 | — | — | US | disclosed |
| WO-2011064211-A1 | BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS | NOVARTIS AG (CH) | 2011-06-03 | — | — | WO | disclosed |
| US-20100152099-A1 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA | ENSEMBLE THERAPEUTICS CORPORATION | 2010-06-17 | — | — | US | disclosed |
| US-20090325952-A1 | PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS | GLAXO GROUP LIMITED | 2009-12-31 | — | — | US | disclosed |
| US-20080058369-A1 | Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors | GLAXO GROUP LIMITED (GB) | 2008-03-06 | — | — | US | disclosed |
| US-6867200-B1 | (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-15 | — | — | US | disclosed |
| US-3959551-A | TEXTILE, FIREPROOFING | HOOKER CHEMICALS & PLASTICS CORPORATION (US) | 1976-05-25 | — | — | US | disclosed |