⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7787869 | 0.78 | — | — | |
| SCHEMBL28273881 | 0.78 | — | — | |
| SCHEMBL4789747 | 0.75 | MMP1 (0.39) | — | |
| SCHEMBL8059944 | 0.73 | MMP1 (0.47) | — | |
| SCHEMBL248143 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL5424411 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL16561210 | 0.72 | MMP1 (0.37) | — | |
| SCHEMBL10564171 | 0.71 | MMP1 (0.41) | — | |
| SCHEMBL16996650 | 0.70 | MMP1 (0.48) | — | |
| SCHEMBL1364479 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0415886-A2 | Aza compounds | CIBA-GEIGY AG (CH) | 1991-03-06 | — | — | EP | disclosed |