⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5017623 | 0.81 | — | — | |
| SCHEMBL7158489 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL5274972 | 0.72 | — | — | |
| SCHEMBL5279992 | 0.72 | — | — | |
| SCHEMBL5278647 | 0.70 | — | — | |
| SCHEMBL5283737 | 0.70 | — | — | |
| SCHEMBL15670789 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL3698232 | 0.67 | — | — | |
| SCHEMBL23355495 | 0.67 | — | — | |
| SCHEMBL5280333 | 0.67 | HCAR3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110204559-A | A kind of carbazolyl-containing Triterpenic acid derivative and preparation method thereof | 陕西科技大学 | 2019-09-06 | — | — | CN | disclosed |
| WO-2010114881-A1 | ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS | PROGENRA INC. (US) | 2010-10-07 | — | — | WO | disclosed |
| CN-101240146-A | Metal-polishing composition and chemical mechanical polishing method by using the same | FUJIFILM CORP (JP) | 2008-08-13 | — | — | CN | disclosed |