⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6279062 | 0.65 | — | — | |
| SCHEMBL2459487 | 0.59 | — | — | |
| SCHEMBL13342769 | 0.53 | CYP2D6 (0.37) | — | |
| SCHEMBL16376048 | 0.53 | — | — | |
| Bicarbonate SCHEMBL28315203 | 0.49 | CA1 (0.62) | — | |
| Bicarbonate SCHEMBL1482408 | 0.49 | — | — | |
| Sulfur Dioxide SCHEMBL9456700 | 0.47 | — | — | |
| Bicarbonate SCHEMBL33316 | 0.47 | — | — | |
| Bicarbonate SCHEMBL10619774 | 0.47 | — | — | |
| Bicarbonate SCHEMBL139212 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995030672-A1 | AZIRIDINE COMPOUNDS, METHODS OF PREPARATION AND REACTIONS THEREOF | DREXEL UNIVERSITY (US) | 1995-11-16 | — | — | WO | claimed |
| WO-1995030672-A1 | AZIRIDINE COMPOUNDS, METHODS OF PREPARATION AND REACTIONS THEREOF | DREXEL UNIVERSITY (US) | 1995-11-16 | — | — | WO | disclosed |