⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7056797 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL21342852 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL24882684 | 0.74 | — | — | |
| SCHEMBL29173971 | 0.74 | — | — | |
| SCHEMBL19730551 | 0.72 | ANPEP (0.32) | — | |
| SCHEMBL22431677 | 0.71 | TP53 (0.31) | — | |
| SCHEMBL21889316 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL13395769 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL12354687 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL21888748 | 0.71 | TSHR (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105579484-B | Polyurethane foam pre-composition containing halogenated olefin blowing agents and the foam being produced from it | 霍尼韦尔国际公司 | 2019-06-04 | — | — | CN | claimed |
| WO-2019046271-A1 | HEPATITIS B ANTIVIRAL AGENTS | ENANTA PHARMACEUTICALS, INC. (US) | 2019-03-07 | — | — | WO | disclosed |