⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2696279 | 0.94 | — | — | |
| SCHEMBL2697353 | 0.94 | TYR (0.34) | — | |
| SCHEMBL2694541 | 0.89 | TYR (0.33) | — | |
| SCHEMBL2694677 | 0.86 | MEN1 (0.33) | — | |
| SCHEMBL2694731 | 0.81 | — | — | |
| SCHEMBL2694858 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL2696283 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL2694956 | 0.81 | TYR (0.36) | — | |
| SCHEMBL2694690 | 0.81 | PTGS2 (0.38) | — | |
| SCHEMBL2695775 | 0.80 | TYR (0.35) | — |
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-8168812-B2 | Process for producing alkyl tin alkoxide compound and process for producing carbonic acid ester using said compound | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2012-05-01 | — | — | US | disclosed |