⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3873172 | 0.93 | — | — | |
| SCHEMBL11367676 | 0.80 | NOS2 (0.44) | — | |
| SCHEMBL353811 | 0.78 | — | — | |
| SCHEMBL8086969 | 0.78 | — | — | |
| SCHEMBL9305499 | 0.78 | — | — | |
| SCHEMBL10389489 | 0.78 | — | — | |
| SCHEMBL5026802 | 0.78 | NOS2 (0.43) | — | |
| SCHEMBL1173919 | 0.78 | — | — | |
| SCHEMBL2760691 | 0.78 | — | — | |
| SCHEMBL7381082 | 0.78 | NOS2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001036367-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2001-05-25 | — | — | WO | disclosed |