⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1644470 | 0.89 | — | — | |
| SCHEMBL5226067 | 0.89 | — | — | |
| SCHEMBL3221127 | 0.81 | TSHR (0.37) | — | |
| SCHEMBL317417 | 0.80 | — | — | |
| SCHEMBL11665896 | 0.79 | TSHR (0.35) | — | |
| Ethylenediamine SCHEMBL11002045 | 0.76 | — | — | |
| SCHEMBL1495223 | 0.76 | — | — | |
| SCHEMBL875668 | 0.76 | — | — | |
| SCHEMBL27521876 | 0.74 | CXCR3 (0.30) | — | |
| SCHEMBL1495194 | 0.71 | — | — |
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-111836836-A | Transition metal compound for olefin polymerization catalyst, olefin polymerization catalyst containing the transition metal compound, and polyolefin polymerized by the olefin polymerization catalyst | 韩华思路信株式会社 | 2020-10-27 | — | — | CN | disclosed |