⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9778181 | 0.72 | — | — | |
| SCHEMBL9778197 | 0.69 | — | — | |
| SCHEMBL28084526 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL9340586 | 0.61 | — | — | |
| SCHEMBL8847024 | 0.60 | — | — | |
| SCHEMBL27629741 | 0.60 | — | — | |
| SCHEMBL27346724 | 0.60 | — | — | |
| SCHEMBL28663242 | 0.60 | — | — | |
| SCHEMBL11336090 | 0.59 | — | — | |
| SCHEMBL27727419 | 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-1200915-C | Process for preparing organic compound | MITSUI CHEMICALS INC (JP) | 2005-05-11 | — | — | CN | disclosed |
| CN-1235141-A | Process for preparing organic compound | MITSUI CHEMICALS INC (JP) | 1999-11-17 | — | — | CN | disclosed |