⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15524774 | 0.87 | — | — | |
| SCHEMBL37375 | 0.87 | KDM3A (0.33) | — | |
| SCHEMBL432264 | 0.87 | — | — | |
| SCHEMBL29801713 | 0.87 | — | — | |
| SCHEMBL29351763 | 0.87 | — | — | |
| SCHEMBL23832324 | 0.75 | — | — | |
| Silver SCHEMBL2393332 | 0.75 | — | — | |
| SCHEMBL1259973 | 0.75 | — | — | |
| Lithium Ion SCHEMBL1259098 | 0.75 | — | — | |
| SCHEMBL1259523 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5698338-A | IMPROVED PERFORMANCE | VALENCE TECHNOLOGY, INC. (US) | 1997-12-16 | — | — | US | claimed |
| CN-103785395-A | Catalyst for preparation of synthetic gas through partial oxidation of methane, and preparation method and application thereof | CHINA PETROLEUM & CHEMICAL | 2014-05-14 | — | — | CN | disclosed |
| US-5698338-A | IMPROVED PERFORMANCE | VALENCE TECHNOLOGY, INC. (US) | 1997-12-16 | — | — | US | disclosed |