⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL251793 | 0.89 | ACHE (0.33) | — | |
| SCHEMBL14956282 | 0.84 | MEN1 (0.31) | — | |
| SCHEMBL6401841 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL15302545 | 0.75 | MEN1 (0.32) | — | |
| SCHEMBL3109862 | 0.74 | ACHE (0.33) | — | |
| SCHEMBL251739 | 0.74 | ACHE (0.33) | — | |
| SCHEMBL6517713 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL15266411 | 0.73 | — | — | |
| SCHEMBL4867088 | 0.73 | — | — | |
| SCHEMBL15302077 | 0.72 | MEN1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103003367-B | Curable resin composition and cured article | DAICEL CORP. (JP) | 2015-09-30 | — | — | CN | disclosed |
| CN-103154145-B | Curable resin composition and cured article | DAICEL CORP. (JP) | 2015-09-16 | — | — | CN | disclosed |
| CN-103080233-B | Curable resin composition | DAICEL CORP | 2015-06-24 | — | — | CN | disclosed |