⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29056297 | 0.93 | — | — | |
| SCHEMBL29056294 | 0.86 | — | — | |
| SCHEMBL5222817 | 0.76 | — | — | |
| SCHEMBL5222819 | 0.76 | HRH3 (0.32) | — | |
| SCHEMBL3127470 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL3170042 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL528149 | 0.74 | LTA4H (0.41) | — | |
| SCHEMBL22093047 | 0.74 | — | — | |
| SCHEMBL4917509 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL10337202 | 0.73 | LPAR3 (0.39) | — |
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-114349748-A | Indazole derivative, preparation method and medical application thereof | 四川海思科制药有限公司 | 2022-04-15 | — | — | CN | disclosed |