⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1684896 | 0.78 | — | — | |
| SCHEMBL3176109 | 0.76 | — | — | |
| SCHEMBL207947 | 0.76 | — | — | |
| SCHEMBL472211 | 0.74 | — | — | |
| SCHEMBL11285052 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL17737748 | 0.74 | — | — | |
| SCHEMBL9389710 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL12582812 | 0.73 | MAPK1 (0.41) | — | |
| SCHEMBL12712575 | 0.73 | — | — | |
| SCHEMBL30806237 | 0.73 | MAPK1 (0.41) | — |
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-105073747-B | Heterocyclic compounds and their use | 普莱希科公司 | 2017-06-06 | — | — | CN | disclosed |