⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6914385 | 1.00 | — | — | |
| SCHEMBL27616294 | 0.81 | ALDH1A1 (0.50) | — | |
| SCHEMBL151424 | 0.79 | — | — | |
| SCHEMBL167804 | 0.79 | — | — | |
| SCHEMBL17689575 | 0.79 | — | — | |
| SCHEMBL13255335 | 0.77 | — | — | |
| SCHEMBL20817010 | 0.77 | — | — | |
| SCHEMBL20817009 | 0.77 | — | — | |
| SCHEMBL20816992 | 0.77 | — | — | |
| SCHEMBL20816991 | 0.77 | — | — |
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-7759372-B2 | Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2010-07-20 | — | — | US | disclosed |
| US-6822121-B2 | CHEMICAL INTERMEDIATE FOR DAMASCONE | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2004-11-23 | — | — | US | disclosed |
| US-20020004615-A1 | Production process of cyclohexenyl ketones | TAKASAGO INTERNATIONAL CORPORATION | 2002-01-10 | — | — | US | disclosed |
| EP-1162190-A2 | Production process of cyclohexenyl methyl ketones | Takasago International Corporation (JP) | 2001-12-12 | — | — | EP | disclosed |