⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL64078 | 0.93 | — | — | |
| SCHEMBL50501 | 0.93 | — | — | |
| SCHEMBL63327 | 0.93 | — | — | |
| SCHEMBL1067947 | 0.93 | ALDH1A1 (0.46) | — | |
| SCHEMBL12514606 | 0.90 | ALDH1A1 (0.43) | — | |
| SCHEMBL28385044 | 0.90 | — | — | |
| SCHEMBL9491437 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL11738986 | 0.90 | — | — | |
| SCHEMBL6577965 | 0.90 | — | — | |
| SCHEMBL20049438 | 0.90 | ALDH1A1 (0.43) | — |
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-110177636-A | Raw material for increasing material manufacturing method, the increasing material manufacturing method using it and the product obtained by it | 霍加纳斯股份有限公司 | 2019-08-27 | — | — | CN | disclosed |