⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL119227 | 0.71 | — | — | |
| SCHEMBL10002194 | 0.71 | NOS1 (0.55) | — | |
| SCHEMBL2782064 | 0.69 | — | — | |
| SCHEMBL765512 | 0.69 | — | — | |
| SCHEMBL19504364 | 0.67 | — | — | |
| Chloroform SCHEMBL8031927 | 0.67 | NOS1 (0.44) | — | |
| SCHEMBL2642737 | 0.67 | — | — | |
| SCHEMBL160815 | 0.67 | — | — | |
| SCHEMBL2373016 | 0.67 | — | — | |
| SCHEMBL9942580 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2315763-A1 | BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS | Sirtris Pharmaceuticals, Inc. (US) | 2011-05-04 | — | — | EP | disclosed |
| WO-2010003048-A1 | BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2010-01-07 | — | — | WO | disclosed |
| EP-2038266-A2 | COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF | Abbott Laboratories (US) | 2009-03-25 | — | — | EP | disclosed |
| WO-2007140385-A2 | THIAZOLE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2007-12-06 | — | — | WO | disclosed |