⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6079698 | 0.92 | — | — | |
| SCHEMBL11026302 | 0.87 | — | — | |
| SCHEMBL7269686 | 0.79 | — | — | |
| SCHEMBL14778162 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL7269878 | 0.74 | — | — | |
| SCHEMBL28438544 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL7269333 | 0.71 | — | — | |
| SCHEMBL6626455 | 0.70 | — | — | |
| SCHEMBL21351018 | 0.69 | — | — | |
| SCHEMBL29067135 | 0.68 | SPHK2 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6756497-B1 | REACTING SUBSTITUTED BICYCLOHEPTENONE WITH ALKALI METAL ALKOXIDE OR ALKALI METAL OR ALKALINE EARTH METAL HYDROXIDE AND WATER OR METHANOL, ETHANOL, PROPANOL, ISOPROPANOL, BUTANOL OR TERT-BUTANOL IN LISTED ALCOHOLS OR TETRAHYDROFURAN AS SOLVENT | NIPPON SODA CO., LTD. (JP) | 2004-06-29 | — | — | US | disclosed |