⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1428832 | 1.00 | — | — | |
| SCHEMBL1428833 | 1.00 | — | — | |
| SCHEMBL16768765 | 0.94 | ALDH1A1 (0.67) | — | |
| SCHEMBL9848426 | 0.80 | MAPT (0.47) | — | |
| SCHEMBL9848418 | 0.80 | MAPT (0.47) | — | |
| SCHEMBL9848405 | 0.80 | MAPT (0.47) | — | |
| Azobenzene SCHEMBL6703357 | 0.79 | ALDH1A1 (1.00) | — | |
| Azobenzene SCHEMBL11124477 | 0.79 | ALDH1A1 (1.00) | — | |
| Azobenzene SCHEMBL11878769 | 0.79 | ALDH1A1 (1.00) | — | |
| Azobenzene SCHEMBL6562161 | 0.79 | ALDH1A1 (1.00) | — |
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-20090253673-A1 | Substituted Pyrazoles as Ghrelin Receptor Antagonists | MERCK SHARP & DOHME CORP. | 2009-10-08 | — | — | US | disclosed |
| US-20090170906-A1 | HCV INHIBITORS | SMITHKLINE BEECHAM CORPORATION | 2009-07-02 | — | — | US | disclosed |
| US-7419997-B2 | Tetrahydrocarbazole derivatives and their pharmaceutical use | SMITHKLINE BEECHAM CORPORATION (US) | 2008-09-02 | — | — | US | disclosed |
| US-7351733-B2 | Tetrahydrocarbazole derivatives and their pharmaceutical use | SMITHKLINE BEECHAM CORPORATION (US) | 2008-04-01 | — | — | US | disclosed |