⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL547797 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL28963412 | 0.82 | HTR6 (0.33) | — | |
| SCHEMBL28960018 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL28976249 | 0.79 | HSD17B10 (0.30) | — | |
| SCHEMBL28857525 | 0.77 | KDM1A (0.33) | — | |
| SCHEMBL7770902 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL3267056 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL3753725 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL27515066 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL27730862 | 0.77 | ALDH1A1 (0.30) | — |
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-101305054-B | Composition, film and liquid crystal display | FUJIFILM CORP. (JP) | 2011-12-28 | — | — | CN | disclosed |
| CN-101305054-A | Composition, film and liquid crystal display | FUJIFILM CORP (JP) | 2008-11-12 | — | — | CN | disclosed |