⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7144608 | 0.86 | — | — | |
| SCHEMBL235334 | 0.82 | — | — | |
| SCHEMBL13270307 | 0.80 | SHBG (0.31) | — | |
| SCHEMBL8761890 | 0.80 | SHBG (0.31) | — | |
| SCHEMBL196806 | 0.80 | SHBG (0.31) | — | |
| Water SCHEMBL28260166 | 0.78 | SHBG (0.30) | — | |
| SCHEMBL14269834 | 0.77 | — | — | |
| SCHEMBL7149980 | 0.77 | — | — | |
| SCHEMBL27538806 | 0.76 | CYP1A2 (0.31) | — | |
| SCHEMBL7151318 | 0.76 | — | — |
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-104583244-B | Catalyst for olefines polymerizing and preparation method thereof | 印度石油有限公司 | 2017-10-24 | — | — | CN | disclosed |