⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24527172 | 0.59 | CYP19A1 (0.32) | — | |
| SCHEMBL16939214 | 0.59 | CYP19A1 (0.32) | — | |
| SCHEMBL9572718 | 0.58 | — | — | |
| SCHEMBL4380616 | 0.55 | — | — | |
| SCHEMBL4380620 | 0.55 | — | — | |
| SCHEMBL7011041 | 0.53 | — | — | |
| SCHEMBL13716221 | 0.52 | ALDH1A1 (0.37) | — | |
| SCHEMBL413204 | 0.52 | — | — | |
| Hydrochloric Acid SCHEMBL4527188 | 0.46 | CA12 (0.61) | — | |
| Hydrochloric Acid SCHEMBL10631334 | 0.46 | CA12 (0.61) | — |
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-119139559-A | Modification method and application of medical catheter | 健帆生物科技集团股份有限公司 | 2024-12-17 | — | — | CN | disclosed |