⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22382693 | 0.91 | — | — | |
| SCHEMBL10622743 | 0.89 | — | — | |
| SCHEMBL385594 | 0.89 | — | — | |
| SCHEMBL28575867 | 0.89 | — | — | |
| SCHEMBL29179061 | 0.89 | — | — | |
| SCHEMBL453192 | 0.89 | — | — | |
| SCHEMBL31458536 | 0.80 | — | — | |
| SCHEMBL22382695 | 0.80 | — | — | |
| SCHEMBL6142812 | 0.80 | — | — | |
| SCHEMBL31181160 | 0.80 | — | — |
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-118773429-A | Method for canceling postweld heat treatment of welding line of basic structure module of nuclear pressure equipment | 上海核工程研究设计院股份有限公司 | 2024-10-15 | — | — | CN | disclosed |