⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13050901 | 0.67 | KDM4E (0.31) | — | |
| SCHEMBL8960369 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL14300459 | 0.66 | — | — | |
| SCHEMBL265092 | 0.63 | KDM4E (0.31) | — | |
| SCHEMBL265093 | 0.62 | — | — | |
| SCHEMBL12432057 | 0.62 | MAPT (0.31) | — | |
| SCHEMBL12557565 | 0.60 | — | — | |
| SCHEMBL5073884 | 0.60 | — | — | |
| SCHEMBL13009033 | 0.60 | KDM4E (0.32) | — | |
| SCHEMBL15070005 | 0.60 | MAPT (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1066168-C | Enhancing the storage stability of organic phosphites and phosphonites | CIBASPECIALS HOLDING INC (CH) | 2001-05-23 | — | — | CN | disclosed |