⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3987017 | 1.00 | — | — | |
| SCHEMBL6055445 | 0.91 | KMT2A (0.45) | — | |
| SCHEMBL6055438 | 0.91 | KMT2A (0.45) | — | |
| SCHEMBL3983475 | 0.85 | — | — | |
| SCHEMBL681879 | 0.85 | — | — | |
| SCHEMBL767441 | 0.85 | — | — | |
| SCHEMBL29165331 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL13508673 | 0.72 | — | — | |
| SCHEMBL1074428 | 0.72 | — | — | |
| SCHEMBL13792960 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117342920-A | Chain-substituted tricyclic condensed ring alkane compound and preparation method and application thereof | 西北工业大学 | 2024-01-05 | — | — | CN | claimed |
| US-7501535-B2 | Chemical synthons and intermediates | PURDUE RESEARCH FOUNDATION (US) | 2009-03-10 | — | — | US | claimed |
| US-20040138485-A1 | Chemical synthons and intermediates | PURDUE RESEARCH FOUNDATION | 2004-07-15 | — | — | US | claimed |
| CN-117342920-A | Chain-substituted tricyclic condensed ring alkane compound and preparation method and application thereof | 西北工业大学 | 2024-01-05 | — | — | CN | disclosed |
| US-7501535-B2 | Chemical synthons and intermediates | PURDUE RESEARCH FOUNDATION (US) | 2009-03-10 | — | — | US | disclosed |
| US-20040138485-A1 | Chemical synthons and intermediates | PURDUE RESEARCH FOUNDATION | 2004-07-15 | — | — | US | disclosed |