⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL970572 | 0.82 | ACE2 (0.39) | — | |
| SCHEMBL5769073 | 0.80 | AKT1 (0.33) | — | |
| SCHEMBL969003 | 0.68 | CCR5 (0.34) | — | |
| SCHEMBL9512574 | 0.68 | HSD17B10 (0.33) | — | |
| SCHEMBL12919828 | 0.65 | CYP3A4 (0.37) | — | |
| SCHEMBL12919827 | 0.62 | AKT1 (0.45) | — | |
| SCHEMBL12919825 | 0.62 | AKT1 (0.45) | — | |
| SCHEMBL12919868 | 0.62 | AKT1 (0.45) | — | |
| SCHEMBL12919824 | 0.62 | AKT1 (0.45) | — | |
| SCHEMBL967297 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7875607-B2 | Neurodegenerative disorders; antiinflammatory agents; antiischemic agents; neuropathic pain; antiepileptic agents; Parkinson's disease; Alzheimer's disease; antidiabetic agents; 3-(6-Hydroxy-2-methyl-3,4,7,8,9,10-hexahydro-7,10-methano-2H -benzo[h]chromen-2-yl)-propionic acid methyl ester | AMPERE LIFE SCIENCES, INC. (US) | 2011-01-25 | — | — | US | disclosed |
| US-20090170814-A1 | 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES | EDISON PHARMACEUTICALS, INC. (US) | 2009-07-02 | — | — | US | disclosed |
| US-7470798-B2 | Neurodegenerative disorders; antiinflammatory agents; strokes; antiischemic agents; neuropathic pain; brain disorders; antiepileptic agents; Parkinson's disease ; amyotropic lateral sclerosis; Alzheimer's disease; antidiabetic agents | EDISON PHARMACEUTICALS, INC. (US) | 2008-12-30 | — | — | US | disclosed |
| US-20050065149-A1 | Neurodegenerative disorders; antiinflammatory agents; strokes; antiischemic agents; neuropathic pain; brain disorders; antiepileptic agents; Parkinson's disease ; amyotropic lateral sclerosis; Alzheimer's disease; antidiabetic agents | PTC THERAPEUTICS, INC. | 2005-03-24 | — | — | US | disclosed |