⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23085322 | 0.96 | ALOX15 (0.38) | — | |
| SCHEMBL16659367 | 0.87 | USP2 (0.37) | — | |
| SCHEMBL613871 | 0.86 | ALOX15 (0.35) | — | |
| SCHEMBL11946876 | 0.81 | CA12 (0.39) | — | |
| SCHEMBL2498188 | 0.78 | ALOX15 (0.41) | — | |
| SCHEMBL16659368 | 0.77 | USP2 (0.31) | — | |
| SCHEMBL13899788 | 0.77 | TSHR (0.43) | — | |
| Dimethylformamide SCHEMBL28207129 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL27174197 | 0.77 | MEN1 (0.44) | — | |
| SCHEMBL24508499 | 0.77 | MEN1 (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8466287-B2 | Process for producing tricyclic ketone | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2013-06-18 | — | — | US | disclosed |
| US-20120041204-A1 | PROCESS FOR PRODUCING TRICYCLIC KETONE | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2012-02-16 | — | — | US | disclosed |
| US-8067595-B2 | Process for producing tricyclic ketone | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2011-11-29 | — | — | US | disclosed |
| US-20090023927-A1 | Process for producing tricyclic ketone | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2009-01-22 | — | — | US | disclosed |
| EP-1900740-A1 | PROCESS FOR PRODUCING TRICYCLIC KETONE | Kabushiki Kaisha Yakult Honsha (JP) | 2008-03-19 | — | — | EP | disclosed |
| US-7160877-B2 | Aliphatic nitrogen-containing 5-membered ring compound | TANABE SEIYAKU CO., LTD. (JP) | 2007-01-09 | — | — | US | disclosed |