⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28111984 | 0.73 | — | — | |
| SCHEMBL28257099 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL5133480 | 0.73 | — | — | |
| SCHEMBL204297 | 0.68 | ALDH1A1 (0.41) | — | |
| SCHEMBL27554009 | 0.66 | ALDH1A1 (0.39) | — | |
| Propylene Oxide SCHEMBL27547327 | 0.62 | TSHR (0.34) | — | |
| SCHEMBL28172553 | 0.61 | — | — | |
| SCHEMBL2779555 | 0.60 | ALDH1A1 (0.44) | — | |
| SCHEMBL27997339 | 0.60 | — | — | |
| SCHEMBL730076 | 0.59 | ALDH1A1 (0.37) | — |
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-103228736-B | Curable composition | 株式会社钟化 | 2017-05-03 | — | — | CN | disclosed |
| CN-106062082-A | Curable composition | 株式会社钟化 | 2016-10-26 | — | — | CN | disclosed |