⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27488898 | 0.79 | CES1 (0.36) | — | |
| SCHEMBL27433930 | 0.78 | PAOX (0.34) | — | |
| SCHEMBL27875617 | 0.77 | PRKCA (0.40) | — | |
| SCHEMBL28104366 | 0.77 | PRKCA (0.40) | — | |
| SCHEMBL8677949 | 0.75 | PRKCA (0.39) | — | |
| SCHEMBL22235267 | 0.71 | CHRM2 (0.31) | — | |
| SCHEMBL27657689 | 0.71 | CHRM2 (0.34) | — | |
| SCHEMBL22497985 | 0.71 | CHRM2 (0.31) | — | |
| SCHEMBL11825034 | 0.71 | NOS1 (0.31) | — | |
| SCHEMBL12837233 | 0.69 | HDAC1 (0.36) | — |
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-104785222-B | Preparation method and application of chitosan composite material | 安徽师范大学 | 2017-04-19 | — | — | CN | disclosed |
| CN-104785222-A | Preparation method and application of chitosan composite material | UNIV ANHUI NORMAL | 2015-07-22 | — | — | CN | disclosed |