⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6700435 | 0.83 | — | — | |
| SCHEMBL6634673 | 0.75 | HDAC3 (0.63) | — | |
| SCHEMBL734444 | 0.75 | — | — | |
| SCHEMBL1643947 | 0.75 | HDAC3 (0.63) | — | |
| SCHEMBL607005 | 0.74 | — | — | |
| Butyrylhydroxamic Acid SCHEMBL264922 | 0.73 | — | — | |
| Water SCHEMBL29155573 | 0.73 | HDAC3 (0.60) | — | |
| SCHEMBL42695 | 0.73 | — | — | |
| SCHEMBL28327602 | 0.72 | — | — | |
| SCHEMBL7797639 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7786128-B2 | Indole or benzimidazole derivatives as CB1 inverse agonists | HOFFMANN-LA ROCHE INC. (US) | 2010-08-31 | — | — | US | disclosed |
| US-20080234290-A1 | NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES AS CB1 INVERSE AGONISTS | BLEICHER KONRAD | 2008-09-25 | — | — | US | disclosed |
| US-7384945-B2 | Indole or benzimidazole derivatives as CB1 inverse agonists | HOFFMANN-LA ROCHE INC. (US) | 2008-06-10 | — | — | US | disclosed |
| US-20060089367-A1 | New indole or benzimidazole derivatives as CB1 inverse agonists | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-27 | — | — | US | disclosed |
| US-5955464-A | USE OF THE RECEPTOR TYROSINE KINASE INHIBITORY PROPERTIES OF THE COMPOUNDS IN THE TREATMENT OF PROLIFERATIVE DISEASE SUCH AS CANCER | ZENECA LIMITED (GB) | 1999-09-21 | — | — | US | disclosed |
| US-5646154-A | Pharmaceutical compositions for inhibiting the formation of tumor necrosis factor | SUMITOMO PHARMACEUTICALS CO., LTD. (JP) | 1997-07-08 | — | — | US | disclosed |
| EP-0664128-A1 | PHARMACEUTICAL COMPOSITION FOR INHIBITING TUMOR NECROSIS FACTOR PRODUCTION | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1995-07-26 | — | — | EP | disclosed |