⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27695674 | 0.76 | ACE2 (0.34) | — | |
| SCHEMBL27867774 | 0.74 | NPC1 (0.31) | — | |
| SCHEMBL27914743 | 0.71 | — | — | |
| SCHEMBL27489286 | 0.63 | — | — | |
| SCHEMBL27840294 | 0.63 | — | — | |
| SCHEMBL7860874 | 0.62 | — | — | |
| SCHEMBL20529716 | 0.62 | NPC1 (0.30) | — | |
| SCHEMBL28286306 | 0.62 | — | — | |
| SCHEMBL1071303 | 0.62 | ALDH1A1 (0.46) | — | |
| SCHEMBL28105300 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1988955-B | Method for producing oxygen-containing compound | SUMITOMO CHEMICAL CO | 2010-09-29 | — | — | CN | disclosed |
| CN-1988955-A | Method for producing oxygen-containing compound | SUMITOMO CHEMICAL CO (JP) | 2007-06-27 | — | — | CN | disclosed |