⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11937831 | 0.76 | — | — | |
| SCHEMBL12162563 | 0.76 | — | — | |
| SCHEMBL19886834 | 0.67 | — | — | |
| SCHEMBL5555329 | 0.67 | — | — | |
| SCHEMBL2010358 | 0.66 | CHRM3 (0.34) | — | |
| SCHEMBL15279912 | 0.65 | — | — | |
| SCHEMBL15177820 | 0.62 | — | — | |
| SCHEMBL12920575 | 0.62 | — | — | |
| SCHEMBL18602060 | 0.62 | — | — | |
| SCHEMBL14733924 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3004112-B1 | PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2017-08-30 | — | — | EP | disclosed |
| WO-2001009129-A2 | 1H-PIRIDO[3, 4-B]INDOL-1-ONE DERIVATIVES | NOVUSPHARMA S.P.A. (IT) | 2001-02-08 | — | — | WO | disclosed |