⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13663722 | 1.00 | — | — | |
| SCHEMBL4384253 | 0.85 | HTT (0.33) | — | |
| SCHEMBL14296724 | 0.84 | LMNA (0.41) | — | |
| SCHEMBL31304751 | 0.80 | MEN1 (0.52) | — | |
| SCHEMBL18072582 | 0.80 | MEN1 (0.52) | — | |
| SCHEMBL3142480 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL22295973 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL18949018 | 0.77 | HSD17B10 (0.40) | — | |
| SCHEMBL9979945 | 0.77 | — | — | |
| SCHEMBL3268091 | 0.77 | — | — |
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-113121829-A | Terminal-modified conjugated diene-vinyl aromatic hydrocarbon copolymer, process for producing the same, rubber composition, and tire | 奇美实业股份有限公司 | 2021-07-16 | — | — | CN | claimed |